3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide

C14H11ClN4OS — CID 99695601

IUPAC3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1cc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C14H11ClN4OS/c1-19-7-10(6-16-19)12-8-21-14(17-12)18-13(20)9-3-2-4-11(15)5-9/h2-8H,1H3,(H,17,18,20)
InChIKeyJJIQUQDMQUKAAT-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.45
Rot. Bonds3

About 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide

3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 99695601) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID99695601
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1cc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C14H11ClN4OS/c1-19-7-10(6-16-19)12-8-21-14(17-12)18-13(20)9-3-2-4-11(15)5-9/h2-8H,1H3,(H,17,18,20)
InChIKeyJJIQUQDMQUKAAT-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide 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

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
4-chloro-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3462248
3-Chloro-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 3534313
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 1224762
3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287682
1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide
CID 2082451
2-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3340824
2-chloro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 4343611
1-(3-chlorophenyl)-5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32002691
N-(4-(4-chlorophenyl)thiazol-2-yl)-4-(pyridazin-4-ylamino)benzamide
CID 11675883
2-chloro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide (CID 99695601) is 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide is Cn1cc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cn1.
What is the InChIKey of 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JJIQUQDMQUKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c1-19-7-10(6-16-19)12-8-21-14(17-12)18-13(20)9-3-2-4-11(15)5-9/h2-8H,1H3,(H,17,18,20).
What are the key properties of 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide?
3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 318.79 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 99695601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).