N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide

C14H18N2O2S — CID 14700264

IUPACN-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCc1c(O)c(C)c2sc(NC(=O)C(C)C)nc2c1C
InChIInChI=1S/C14H18N2O2S/c1-6(2)13(18)16-14-15-10-7(3)8(4)11(17)9(5)12(10)19-14/h6,17H,1-5H3,(H,15,16,18)
InChIKeyWBIYGYSUPYURMC-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.52
Rot. Bonds2

About N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide

N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide (PubChem CID 14700264) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
PubChem CID14700264
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCc1c(O)c(C)c2sc(NC(=O)C(C)C)nc2c1C
InChIInChI=1S/C14H18N2O2S/c1-6(2)13(18)16-14-15-10-7(3)8(4)11(17)9(5)12(10)19-14/h6,17H,1-5H3,(H,15,16,18)
InChIKeyWBIYGYSUPYURMC-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropanoate
CID 14700276
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 14700265
ethyl 5-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
CID 14700280
2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol
CID 14700312
2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol
CID 14700370
4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 14700316
methyl N-[7-(2-bromopropanoyl)-4,5,6-trimethyl-1,3-benzothiazol-2-yl]carbamate
CID 22970766
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide
CID 146652560
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
(2S)-2-bromo-N-(4-bromo-6,7-dimethyl-1,3-benzothiazol-2-yl)pentanamide
CID 28662435
(2R)-2-acetamido-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 31893063

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide (CID 14700264) is N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide is Cc1c(O)c(C)c2sc(NC(=O)C(C)C)nc2c1C.
What is the InChIKey of N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The InChIKey is WBIYGYSUPYURMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-6(2)13(18)16-14-15-10-7(3)8(4)11(17)9(5)12(10)19-14/h6,17H,1-5H3,(H,15,16,18).
What are the key properties of N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide?
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide has a molecular weight of 278.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 14700264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).