N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H16N4O2S2 — CID 2331433

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C
InChIInChI=1S/C19H16N4O2S2/c1-10-14-9-15(17(25)21-19-20-11(2)16(27-19)12(3)24)26-18(14)23(22-10)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,20,21,25)
InChIKeyWYOBGNZFZHWBJG-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.62
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2331433) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2331433
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C
InChIInChI=1S/C19H16N4O2S2/c1-10-14-9-15(17(25)21-19-20-11(2)16(27-19)12(3)24)26-18(14)23(22-10)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,20,21,25)
InChIKeyWYOBGNZFZHWBJG-UHFFFAOYSA-N
XLogP4.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 2331433) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is CC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WYOBGNZFZHWBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-10-14-9-15(17(25)21-19-20-11(2)16(27-19)12(3)24)26-18(14)23(22-10)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,20,21,25).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2331433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).