1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone

C10H7ClN2OS — CID 105126307

IUPAC1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1ccncc1Cl
InChIInChI=1S/C10H7ClN2OS/c11-9-5-12-2-1-8(9)10(14)3-7-4-13-6-15-7/h1-2,4-6H,3H2
InChIKeyBRIDLEFHKBYWKP-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone

1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 105126307) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID105126307
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1ccncc1Cl
InChIInChI=1S/C10H7ClN2OS/c11-9-5-12-2-1-8(9)10(14)3-7-4-13-6-15-7/h1-2,4-6H,3H2
InChIKeyBRIDLEFHKBYWKP-UHFFFAOYSA-N
XLogP2.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642327
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796114
1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126213
2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethanone
CID 105089516
1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796085
1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642228
1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642317
1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
CID 105117184
(3S)-1-(3-chloro-4-pyridinyl)-3-methylpentan-1-one
CID 97134527
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
CID 114983965

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone (CID 105126307) is 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is BRIDLEFHKBYWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-9-5-12-2-1-8(9)10(14)3-7-4-13-6-15-7/h1-2,4-6H,3H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 238.70 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 105126307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).