N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine

C143H185Cl3F3N13O8S2 — CID 161011743

IUPACN-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine
SMILESCC(=O)Nc1nc2cc(C(C)(C)C)ccc2s1.CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1cc2cc(O)ccc2[nH]1.CC(C)(C)c1ccc(Cl)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1ccc(O)c(Cl)c1.CC(C)(C)c1ccc(O)c(F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)C.COc1cc(C(C)(C)C)ccc1Cl.c1cnc2cc[nH]c2c1
InChIInChI=1S/2C13H16N2OS.C12H14FN.C12H15NO.C11H15ClO.2C11H14N2.2C10H13ClO.2C10H13FO.C9H13N.C7H6N2.C4H10/c1-8(16)14-12-15-10-7-9(13(2,3)4)5-6-11(10)17-12;1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)11-7-8-6-9(14)4-5-10(8)13-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-9(2,3)8-5-4-6-10-7-8;1-2-6-7(8-4-1)3-5-9-6;1-4(2)3/h2*5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7,13-14H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3,(H,12,13);4*4-6,12H,1-3H3;4-7H,1-3H3;1-5,9H;4H,1-3H3
InChIKeyTXFAXYOAUPOGMZ-UHFFFAOYSA-N
MW2441.62 g/mol
LogP41.19
Rot. Bonds3

About N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine

N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine (PubChem CID 161011743) has the molecular formula C143H185Cl3F3N13O8S2 and a molecular weight of 2441.62 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine
PubChem CID161011743
Molecular FormulaC143H185Cl3F3N13O8S2
Molecular Weight2441.62 g/mol
Exact Mass2438.29
IUPAC NameN-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine
SMILESCC(=O)Nc1nc2cc(C(C)(C)C)ccc2s1.CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1cc2cc(O)ccc2[nH]1.CC(C)(C)c1ccc(Cl)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1ccc(O)c(Cl)c1.CC(C)(C)c1ccc(O)c(F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)C.COc1cc(C(C)(C)C)ccc1Cl.c1cnc2cc[nH]c2c1
InChIInChI=1S/2C13H16N2OS.C12H14FN.C12H15NO.C11H15ClO.2C11H14N2.2C10H13ClO.2C10H13FO.C9H13N.C7H6N2.C4H10/c1-8(16)14-12-15-10-7-9(13(2,3)4)5-6-11(10)17-12;1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)11-7-8-6-9(14)4-5-10(8)13-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-9(2,3)8-5-4-6-10-7-8;1-2-6-7(8-4-1)3-5-9-6;1-4(2)3/h2*5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7,13-14H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3,(H,12,13);4*4-6,12H,1-3H3;4-7H,1-3H3;1-5,9H;4H,1-3H3
InChIKeyTXFAXYOAUPOGMZ-UHFFFAOYSA-N
XLogP41.19
TPSA324.87 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds3
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002441.62
LogP ≤ 541.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 53268881
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 2204293
N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 166636586
N-(1,3-benzothiazol-2-yl)-2-(4-fluoro-2-methoxyphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151015231
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 88743587
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluorobenzamide
CID 3909142
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889
N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623179
N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
CID 112832632
3-tert-butylbenzoic acid;5-tert-butyl-1,3-benzothiazol-2-amine;1-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-methylurea;1-tert-butyl-3-chlorobenzene;2-tert-butyl-N,N-diethylpyridin-4-amine;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-3-methoxybenzene;(2-tert-butylphenyl)methanamine;(4-tert-butylphenyl)methanamine
CID 161497079
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide
CID 55969597

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine (CID 161011743) is N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine is CC(=O)Nc1nc2cc(C(C)(C)C)ccc2s1.CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1cc2cc(O)ccc2[nH]1.CC(C)(C)c1ccc(Cl)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1ccc(O)c(Cl)c1.CC(C)(C)c1ccc(O)c(F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)C.COc1cc(C(C)(C)C)ccc1Cl.c1cnc2cc[nH]c2c1.
What is the InChIKey of N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine?
The InChIKey is TXFAXYOAUPOGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16N2OS.C12H14FN.C12H15NO.C11H15ClO.2C11H14N2.2C10H13ClO.2C10H13FO.C9H13N.C7H6N2.C4H10/c1-8(16)14-12-15-10-7-9(13(2,3)4)5-6-11(10)17-12;1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)11-7-8-6-9(14)4-5-10(8)13-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-9(2,3)8-5-4-6-10-7-8;1-2-6-7(8-4-1)3-5-9-6;1-4(2)3/h2*5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7,13-14H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3,(H,12,13);4*4-6,12H,1-3H3;4-7H,1-3H3;1-5,9H;4H,1-3H3.
What are the key properties of N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine?
N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine has a molecular weight of 2441.62 g/mol, XLogP of 41.19, 3 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 161011743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).