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

C20H18N4OS2 — CID 41413211

IUPAC4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H18N4OS2/c1-14-18(27-20(23-14)16-8-12-26-13-16)19(25)21-10-7-15-3-5-17(6-4-15)24-11-2-9-22-24/h2-6,8-9,11-13H,7,10H2,1H3,(H,21,25)
InChIKeyVQLGFZOMUQHCBS-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.34
Rot. Bonds6

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

4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 41413211) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID41413211
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC Name4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H18N4OS2/c1-14-18(27-20(23-14)16-8-12-26-13-16)19(25)21-10-7-15-3-5-17(6-4-15)24-11-2-9-22-24/h2-6,8-9,11-13H,7,10H2,1H3,(H,21,25)
InChIKeyVQLGFZOMUQHCBS-UHFFFAOYSA-N
XLogP4.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 38473712
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 55711424
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
4-methyl-N-(3-phenoxypropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55431404
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24503890
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525976
4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 42226635
4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8533303
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 38307281

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 41413211) is 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VQLGFZOMUQHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-14-18(27-20(23-14)16-8-12-26-13-16)19(25)21-10-7-15-3-5-17(6-4-15)24-11-2-9-22-24/h2-6,8-9,11-13H,7,10H2,1H3,(H,21,25).
What are the key properties of 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 394.53 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 41413211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).