N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

C16H16N4OS3 — CID 19395810

IUPACN-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCSc1nsc(SC)c1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H16N4OS3/c1-22-15-13(16(23-2)24-19-15)14(21)18-12-8-17-20(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyMDWIFOAYISEFIM-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.08
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (PubChem CID 19395810) has the molecular formula C16H16N4OS3 and a molecular weight of 376.53 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
PubChem CID19395810
Molecular FormulaC16H16N4OS3
Molecular Weight376.53 g/mol
Exact Mass376.05
IUPAC NameN-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCSc1nsc(SC)c1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H16N4OS3/c1-22-15-13(16(23-2)24-19-15)14(21)18-12-8-17-20(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyMDWIFOAYISEFIM-UHFFFAOYSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (CID 19395810) is N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is CSc1nsc(SC)c1C(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The InChIKey is MDWIFOAYISEFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS3/c1-22-15-13(16(23-2)24-19-15)14(21)18-12-8-17-20(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,21).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 19395810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).