2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide

C10H13N5O3S2 — CID 60999455

IUPAC2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)NCc2cn[nH]c2)cs1
InChIInChI=1S/C10H13N5O3S2/c1-20(17,18)15-10-14-8(6-19-10)2-9(16)11-3-7-4-12-13-5-7/h4-6H,2-3H2,1H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyXWKCDLRUZSLTOI-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.10
Rot. Bonds6

About 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide

2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 60999455) has the molecular formula C10H13N5O3S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID60999455
Molecular FormulaC10H13N5O3S2
Molecular Weight315.38 g/mol
Exact Mass315.05
IUPAC Name2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)NCc2cn[nH]c2)cs1
InChIInChI=1S/C10H13N5O3S2/c1-20(17,18)15-10-14-8(6-19-10)2-9(16)11-3-7-4-12-13-5-7/h4-6H,2-3H2,1H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyXWKCDLRUZSLTOI-UHFFFAOYSA-N
XLogP0.10
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide 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 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 60999455) is 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide is CS(=O)(=O)Nc1nc(CC(=O)NCc2cn[nH]c2)cs1.
What is the InChIKey of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is XWKCDLRUZSLTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S2/c1-20(17,18)15-10-14-8(6-19-10)2-9(16)11-3-7-4-12-13-5-7/h4-6H,2-3H2,1H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 315.38 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 60999455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).