2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

C18H14N4OS — CID 167890841

IUPAC2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESCc1cc(-n2cccc2)ccc1C(=O)Nc1nc2cnccc2s1
InChIInChI=1S/C18H14N4OS/c1-12-10-13(22-8-2-3-9-22)4-5-14(12)17(23)21-18-20-15-11-19-7-6-16(15)24-18/h2-11H,1H3,(H,20,21,23)
InChIKeyIOSNQSYOUCWBMI-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.04
Rot. Bonds3

About 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (PubChem CID 167890841) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
PubChem CID167890841
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESCc1cc(-n2cccc2)ccc1C(=O)Nc1nc2cnccc2s1
InChIInChI=1S/C18H14N4OS/c1-12-10-13(22-8-2-3-9-22)4-5-14(12)17(23)21-18-20-15-11-19-7-6-16(15)24-18/h2-11H,1H3,(H,20,21,23)
InChIKeyIOSNQSYOUCWBMI-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 24564408
N-(1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51054043
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
4-(methylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 81237659
2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
CID 46328829
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641
N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide
CID 81238546
3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 105071555
N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43064333
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 17450848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The IUPAC name of 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (CID 167890841) is 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The canonical SMILES for 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is Cc1cc(-n2cccc2)ccc1C(=O)Nc1nc2cnccc2s1.
What is the InChIKey of 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The InChIKey is IOSNQSYOUCWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-10-13(22-8-2-3-9-22)4-5-14(12)17(23)21-18-20-15-11-19-7-6-16(15)24-18/h2-11H,1H3,(H,20,21,23).
What are the key properties of 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide has a molecular weight of 334.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 167890841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).