2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C16H10ClN3S — CID 54613607

IUPAC2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESClc1ccccc1-c1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C16H10ClN3S/c17-13-6-2-1-4-11(13)16-20-14(9-21-16)12-8-19-15-10(12)5-3-7-18-15/h1-9H,(H,18,19)
InChIKeyCTBRKHBUGRCCQQ-UHFFFAOYSA-N
MW311.80 g/mol
LogP5.01
Rot. Bonds2

About 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 54613607) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID54613607
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESClc1ccccc1-c1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C16H10ClN3S/c17-13-6-2-1-4-11(13)16-20-14(9-21-16)12-8-19-15-10(12)5-3-7-18-15/h1-9H,(H,18,19)
InChIKeyCTBRKHBUGRCCQQ-UHFFFAOYSA-N
XLogP5.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.80
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
2-Phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-thiazol-2-yl]-acetamide
CID 11515518
4-chloro-5-(difluoromethyl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 52919873
4,5-dichloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 71719999
N-benzyl-6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808754
2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole
CID 52946331
3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 60147995
N-[(2-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682756
3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 136040144
3-[2-(5-fluoro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 136040150
N-benzyl-6-methyl-2-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 137651449
5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166627251

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 54613607) is 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Clc1ccccc1-c1nc(-c2c[nH]c3ncccc23)cs1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is CTBRKHBUGRCCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/c17-13-6-2-1-4-11(13)16-20-14(9-21-16)12-8-19-15-10(12)5-3-7-18-15/h1-9H,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 311.80 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 54613607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).