2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide

C17H13ClN6OS — CID 90994505

IUPAC2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2nc(Cl)cs2)ncc1C(=O)Nn1cc(C)c2cccnc21
InChIInChI=1S/C17H13ClN6OS/c1-9-7-24(15-11(9)4-3-5-19-15)23-16(25)12-6-20-14(21-10(12)2)17-22-13(18)8-26-17/h3-8H,1-2H3,(H,23,25)
InChIKeyADYDJSBHEIFFQB-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide

2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide (PubChem CID 90994505) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide
PubChem CID90994505
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2nc(Cl)cs2)ncc1C(=O)Nn1cc(C)c2cccnc21
InChIInChI=1S/C17H13ClN6OS/c1-9-7-24(15-11(9)4-3-5-19-15)23-16(25)12-6-20-14(21-10(12)2)17-22-13(18)8-26-17/h3-8H,1-2H3,(H,23,25)
InChIKeyADYDJSBHEIFFQB-UHFFFAOYSA-N
XLogP3.60
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrimidin-5-yl] N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)carbamate
CID 71134034
2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 90937410
4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91479222
4-methyl-2-pyrimidin-2-yl-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91458147
4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91514664
[2-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrimidin-5-yl] N-[3-(difluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134291
N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59199955
4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
CID 59199969
N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099693
N-[3-ethyl-5-(trifluoromethyl)indol-1-yl]-4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 59199982
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085163
[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate
CID 71134337

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide (CID 90994505) is 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide is Cc1nc(-c2nc(Cl)cs2)ncc1C(=O)Nn1cc(C)c2cccnc21.
What is the InChIKey of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is ADYDJSBHEIFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c1-9-7-24(15-11(9)4-3-5-19-15)23-16(25)12-6-20-14(21-10(12)2)17-22-13(18)8-26-17/h3-8H,1-2H3,(H,23,25).
What are the key properties of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide?
2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 384.85 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 90994505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).