N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide

C19H13N5OS — CID 53173117

IUPACN-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3cccc(C#N)c3)cs2)c2cccnc21
InChIInChI=1S/C19H13N5OS/c1-24-10-15(14-6-3-7-21-17(14)24)19-23-16(11-26-19)18(25)22-13-5-2-4-12(8-13)9-20/h2-8,10-11H,1H3,(H,22,25)
InChIKeyHYNYZYMBHXCFON-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.82
Rot. Bonds3

About N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide

N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53173117) has the molecular formula C19H13N5OS and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID53173117
Molecular FormulaC19H13N5OS
Molecular Weight359.41 g/mol
Exact Mass359.08
IUPAC NameN-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3cccc(C#N)c3)cs2)c2cccnc21
InChIInChI=1S/C19H13N5OS/c1-24-10-15(14-6-3-7-21-17(14)24)19-23-16(11-26-19)18(25)22-13-5-2-4-12(8-13)9-20/h2-8,10-11H,1H3,(H,22,25)
InChIKeyHYNYZYMBHXCFON-UHFFFAOYSA-N
XLogP3.82
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 50848152
N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506082
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66374193
N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172890
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
N-(3-ethynylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47443678
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide (CID 53173117) is N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3cccc(C#N)c3)cs2)c2cccnc21.
What is the InChIKey of N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HYNYZYMBHXCFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS/c1-24-10-15(14-6-3-7-21-17(14)24)19-23-16(11-26-19)18(25)22-13-5-2-4-12(8-13)9-20/h2-8,10-11H,1H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53173117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).