ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

C59H87N7OS4 — CID 158286178

IUPACethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1
InChIInChI=1S/C11H12O.C10H11NS.3C9H10N2S.5C2H6.CH4/c1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;5*1-2;/h3-8H,1-2H3;3-7H,1-2H3;3*3-6H,1-2H3;5*1-2H3;1H4
InChIKeyGKUQHTUVJYQANP-UHFFFAOYSA-N
MW1038.66 g/mol
LogP21.19
Rot. Bonds5

About ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 158286178) has the molecular formula C59H87N7OS4 and a molecular weight of 1038.66 g/mol. Its IUPAC name is ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
PubChem CID158286178
Molecular FormulaC59H87N7OS4
Molecular Weight1038.66 g/mol
Exact Mass1037.59
IUPAC Nameethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1
InChIInChI=1S/C11H12O.C10H11NS.3C9H10N2S.5C2H6.CH4/c1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;5*1-2;/h3-8H,1-2H3;3-7H,1-2H3;3*3-6H,1-2H3;5*1-2H3;1H4
InChIKeyGKUQHTUVJYQANP-UHFFFAOYSA-N
XLogP21.19
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001038.66
LogP ≤ 521.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine with MolForge

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Related Compounds

CID 59359313
CID 59359313
4-[8-([1]Benzothiolo[2,3-b]pyrazin-6-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118245526
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118474430
2-(3-Thieno[3,2-d]pyrimidin-6-ylthieno[2,3-b]pyrazin-6-yl)-[1]benzofuro[2,3-b]pyridine
CID 132111857
4-(10-Dibenzofuran-4-ylanthracen-9-yl)-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 134389061
4-[3-[8-[3-[6-[3-([1]Benzothiolo[3,2-b]pyridin-4-yl)-5-dibenzofuran-2-ylphenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 139406265
2-[3-(1-benzofuran-2-yl)-1-(1H-imidazol-2-yl)-4-pyrrolidin-1-yl-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-2H-pyridin-2-yl]-1,3-benzothiazole
CID 140992395
2-[5-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-3,4-bis(1H-pyrrol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-thiazole
CID 141303197
3-Dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 149319355
2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 156656996
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658817
2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 156659268

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (CID 158286178) is ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is C.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1.
What is the InChIKey of ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is GKUQHTUVJYQANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C10H11NS.3C9H10N2S.5C2H6.CH4/c1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;5*1-2;/h3-8H,1-2H3;3-7H,1-2H3;3*3-6H,1-2H3;5*1-2H3;1H4.
What are the key properties of ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 1038.66 g/mol, XLogP of 21.19, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 158286178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).