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

C9H5ClN2OS — CID 164647361

IUPAC(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)c1ncccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-7-2-1-3-11-8(7)9(13)6-4-12-14-5-6/h1-5H
InChIKeyLUXWTRWUDIYLLS-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.42
Rot. Bonds2

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

(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone (PubChem CID 164647361) has the molecular formula C9H5ClN2OS and a molecular weight of 224.67 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone
PubChem CID164647361
Molecular FormulaC9H5ClN2OS
Molecular Weight224.67 g/mol
Exact Mass223.98
IUPAC Name(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)c1ncccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-7-2-1-3-11-8(7)9(13)6-4-12-14-5-6/h1-5H
InChIKeyLUXWTRWUDIYLLS-UHFFFAOYSA-N
XLogP2.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone
CID 103443112
(3-chloro-2-pyridinyl)-(3-chlorothiophen-2-yl)methanone
CID 107359480
(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
CID 103443191
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
3-chloropyridine-2-carbonyl chloride
CID 45081497
(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
CID 103443291
(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288361
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
(2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone
CID 164645649
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
CID 106461754
diazanium;3-chloropyridine-2-carboxylate;ethanolate
CID 141333472
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone?
The IUPAC name of (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone (CID 164647361) is (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone is O=C(c1cnsc1)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone?
The InChIKey is LUXWTRWUDIYLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2OS/c10-7-2-1-3-11-8(7)9(13)6-4-12-14-5-6/h1-5H.
What are the key properties of (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone?
(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone has a molecular weight of 224.67 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 164647361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).