1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide

C20H18N4OS2 — CID 90546811

IUPAC1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1cc(-c2ccccc2)nn1C
InChIInChI=1S/C20H18N4OS2/c1-13-18(27-20(22-13)17-9-6-10-26-17)12-21-19(25)16-11-15(23-24(16)2)14-7-4-3-5-8-14/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyHHBBXMRJFFJGEQ-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.51
Rot. Bonds5

About 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide

1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 90546811) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
PubChem CID90546811
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC Name1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1cc(-c2ccccc2)nn1C
InChIInChI=1S/C20H18N4OS2/c1-13-18(27-20(22-13)17-9-6-10-26-17)12-21-19(25)16-11-15(23-24(16)2)14-7-4-3-5-8-14/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyHHBBXMRJFFJGEQ-UHFFFAOYSA-N
XLogP4.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 90546800
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-phenoxyacetamide
CID 90546642
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546701
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122322316
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 90546787
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide (CID 90546811) is 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide is Cc1nc(-c2cccs2)sc1CNC(=O)c1cc(-c2ccccc2)nn1C.
What is the InChIKey of 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is HHBBXMRJFFJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-13-18(27-20(22-13)17-9-6-10-26-17)12-21-19(25)16-11-15(23-24(16)2)14-7-4-3-5-8-14/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 394.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 90546811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).