N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H12N4OS2 — CID 19509104

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(-c4cccs4)[nH]n3)sc2c1
InChIInChI=1S/C16H12N4OS2/c1-9-4-5-10-14(7-9)23-16(17-10)18-15(21)12-8-11(19-20-12)13-3-2-6-22-13/h2-8H,1H3,(H,19,20)(H,17,18,21)
InChIKeyDEKLBFYZWSEXJL-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.31
Rot. Bonds3

About N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19509104) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID19509104
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(-c4cccs4)[nH]n3)sc2c1
InChIInChI=1S/C16H12N4OS2/c1-9-4-5-10-14(7-9)23-16(17-10)18-15(21)12-8-11(19-20-12)13-3-2-6-22-13/h2-8H,1H3,(H,19,20)(H,17,18,21)
InChIKeyDEKLBFYZWSEXJL-UHFFFAOYSA-N
XLogP4.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55792015
N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19479289
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627491
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55858520
N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 17428438
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90626206

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19509104) is N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1ccc2nc(NC(=O)c3cc(-c4cccs4)[nH]n3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is DEKLBFYZWSEXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-9-4-5-10-14(7-9)23-16(17-10)18-15(21)12-8-11(19-20-12)13-3-2-6-22-13/h2-8H,1H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19509104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).