N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C12H10N4OS2 — CID 31920767

IUPACN-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3ccsc3)n2)cn1
InChIInChI=1S/C12H10N4OS2/c1-16-5-9(4-13-16)14-11(17)10-7-19-12(15-10)8-2-3-18-6-8/h2-7H,1H3,(H,14,17)
InChIKeyOHXACUXAPVLYEY-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.86
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 31920767) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID31920767
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC NameN-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3ccsc3)n2)cn1
InChIInChI=1S/C12H10N4OS2/c1-16-5-9(4-13-16)14-11(17)10-7-19-12(15-10)8-2-3-18-6-8/h2-7H,1H3,(H,14,17)
InChIKeyOHXACUXAPVLYEY-UHFFFAOYSA-N
XLogP2.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129904
1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53521914
2-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53533450
1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53564460
2-(4-methylpyrazol-1-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53615610
N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130074
US20240174679, Example 1-41
CID 122644481
US20240174679, Example 12-5
CID 165129989
US20240174679, Example 9-40
CID 165130001
US20240174679, Example 9-14
CID 165130008
US20240174679, Example 9-18
CID 165130017
US20240174679, Example 9-4
CID 165130083

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 31920767) is N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(-c3ccsc3)n2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OHXACUXAPVLYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c1-16-5-9(4-13-16)14-11(17)10-7-19-12(15-10)8-2-3-18-6-8/h2-7H,1H3,(H,14,17).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 31920767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).