4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide

C11H10ClN3S2 — CID 89394604

IUPAC4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
SMILESCN(C)C(=S)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H10ClN3S2/c1-15(2)11(16)8-9(12)14-10(17-8)7-4-3-5-13-6-7/h3-6H,1-2H3
InChIKeyIJGINBXZUDKDCH-UHFFFAOYSA-N
MW283.81 g/mol
LogP3.10
Rot. Bonds2

About 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide

4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide (PubChem CID 89394604) has the molecular formula C11H10ClN3S2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
PubChem CID89394604
Molecular FormulaC11H10ClN3S2
Molecular Weight283.81 g/mol
Exact Mass283.00
IUPAC Name4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
SMILESCN(C)C(=S)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H10ClN3S2/c1-15(2)11(16)8-9(12)14-10(17-8)7-4-3-5-13-6-7/h3-6H,1-2H3
InChIKeyIJGINBXZUDKDCH-UHFFFAOYSA-N
XLogP3.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 90086251
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 123366475
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylbutanehydrazide
CID 118944679
4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111600
4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114305
1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(4,6-dimethoxypyrimidin-2-yl)oxy-2,2,2-trifluoroethanimine
CID 123774821
N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114641

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide (CID 89394604) is 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide is CN(C)C(=S)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide?
The InChIKey is IJGINBXZUDKDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S2/c1-15(2)11(16)8-9(12)14-10(17-8)7-4-3-5-13-6-7/h3-6H,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide?
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide has a molecular weight of 283.81 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 89394604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).