4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride

C9H4Cl2N2OS — CID 86713748

IUPAC4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
SMILESO=C(Cl)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C9H4Cl2N2OS/c10-7-6(8(11)14)15-9(13-7)5-2-1-3-12-4-5/h1-4H
InChIKeyQYAOZJKVIRNTCN-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.24
Rot. Bonds2

About 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride

4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride (PubChem CID 86713748) has the molecular formula C9H4Cl2N2OS and a molecular weight of 259.12 g/mol. Its IUPAC name is 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
PubChem CID86713748
Molecular FormulaC9H4Cl2N2OS
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
SMILESO=C(Cl)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C9H4Cl2N2OS/c10-7-6(8(11)14)15-9(13-7)5-2-1-3-12-4-5/h1-4H
InChIKeyQYAOZJKVIRNTCN-UHFFFAOYSA-N
XLogP3.24
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 123366475
4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114305
4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114674
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 90086251
N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114641
1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one
CID 149029882
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 89445696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride?
The IUPAC name of 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride (CID 86713748) is 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride.
What is the SMILES notation for 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride?
The canonical SMILES for 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride is O=C(Cl)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride?
The InChIKey is QYAOZJKVIRNTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2OS/c10-7-6(8(11)14)15-9(13-7)5-2-1-3-12-4-5/h1-4H.
What are the key properties of 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride?
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride has a molecular weight of 259.12 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride is sourced from PubChem (CID 86713748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).