N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide

C14H14N4OS2 — CID 50980668

IUPACN,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)cs1
InChIInChI=1S/C14H14N4OS2/c1-9-15-12(8-21-9)14(19)18(2)7-10-6-11(17-16-10)13-4-3-5-20-13/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyKGBNSIDNKGSARM-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.18
Rot. Bonds4

About N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide

N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 50980668) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID50980668
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC NameN,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)cs1
InChIInChI=1S/C14H14N4OS2/c1-9-15-12(8-21-9)14(19)18(2)7-10-6-11(17-16-10)13-4-3-5-20-13/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyKGBNSIDNKGSARM-UHFFFAOYSA-N
XLogP3.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide 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

5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 46889101
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(5-methyl-2-thienyl)-1H-pyrazole-5-carboxamide
CID 70748034
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 28356262
N-(2-methoxyethyl)-3-(5-methyl-2-thienyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70725637
N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-2-(2-thienyl)-1,3-thiazole-4-carboxamide
CID 70787012
1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide
CID 2738495
(3-(2,4-dimethylthiazol-5-yl)-1H-pyrazol-5-yl)(thiomorpholino)methanone
CID 30848788
2-(methyl{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}amino)-1-(1-pyrrolidinyl)-1-ethanone
CID 53193277
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 70749861
[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96577145
2-(ethylamino)-N,4-dimethyl-N-{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}-1,3-thiazole-5-carboxamide
CID 132415434
N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 11962962

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide (CID 50980668) is N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)cs1.
What is the InChIKey of N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KGBNSIDNKGSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-9-15-12(8-21-9)14(19)18(2)7-10-6-11(17-16-10)13-4-3-5-20-13/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50980668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).