1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone

C18H14N4OS2 — CID 11717589

IUPAC1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone
SMILESCC(=O)c1c(N)c(-c2nc(-c3cccs3)cs2)nn1-c1ccccc1
InChIInChI=1S/C18H14N4OS2/c1-11(23)17-15(19)16(21-22(17)12-6-3-2-4-7-12)18-20-13(10-25-18)14-8-5-9-24-14/h2-10H,19H2,1H3
InChIKeyGHIMVUHGEWVIKU-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.51
Rot. Bonds4

About 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone

1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone (PubChem CID 11717589) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone
PubChem CID11717589
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone
SMILESCC(=O)c1c(N)c(-c2nc(-c3cccs3)cs2)nn1-c1ccccc1
InChIInChI=1S/C18H14N4OS2/c1-11(23)17-15(19)16(21-22(17)12-6-3-2-4-7-12)18-20-13(10-25-18)14-8-5-9-24-14/h2-10H,19H2,1H3
InChIKeyGHIMVUHGEWVIKU-UHFFFAOYSA-N
XLogP4.51
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-N-(2-(thiophen-2-yl)ethyl)thiazole-5-carboxamide
CID 49659017
3-(1,3-Benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
CID 90427854
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 8832251
1-[4-Amino-3-(1,3-benzothiazol-2-yl)-1-phenylpyrazol-5-yl]ethanone
CID 8851572
12-Acetyl-4,10-diphenyl-6-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,4,5,8,10,11-hexazatricyclo[7.3.0.03,7]dodeca-3(7),5,8,11-tetraen-2-one
CID 11627993
1-phenyl-5-sulfanylidene-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4H-pyrazolo[4,5-d]pyrimidin-7-one
CID 11675912
N'-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 16387555
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 16575366
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxoacetamide
CID 24552740
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 32321558
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 32321631
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 38820690

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone (CID 11717589) is 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone is CC(=O)c1c(N)c(-c2nc(-c3cccs3)cs2)nn1-c1ccccc1.
What is the InChIKey of 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone?
The InChIKey is GHIMVUHGEWVIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-11(23)17-15(19)16(21-22(17)12-6-3-2-4-7-12)18-20-13(10-25-18)14-8-5-9-24-14/h2-10H,19H2,1H3.
What are the key properties of 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone?
1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone has a molecular weight of 366.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-1-phenyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone is sourced from PubChem (CID 11717589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).