2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide

C9H11N5O3S2 — CID 61393665

IUPAC2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)Nc2ccn[nH]2)cs1
InChIInChI=1S/C9H11N5O3S2/c1-19(16,17)14-9-11-6(5-18-9)4-8(15)12-7-2-3-10-13-7/h2-3,5H,4H2,1H3,(H,11,14)(H2,10,12,13,15)
InChIKeyPNVPURDKHNCSJL-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.42
Rot. Bonds5

About 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide

2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 61393665) has the molecular formula C9H11N5O3S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide
PubChem CID61393665
Molecular FormulaC9H11N5O3S2
Molecular Weight301.35 g/mol
Exact Mass301.03
IUPAC Name2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)Nc2ccn[nH]2)cs1
InChIInChI=1S/C9H11N5O3S2/c1-19(16,17)14-9-11-6(5-18-9)4-8(15)12-7-2-3-10-13-7/h2-3,5H,4H2,1H3,(H,11,14)(H2,10,12,13,15)
InChIKeyPNVPURDKHNCSJL-UHFFFAOYSA-N
XLogP0.42
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide (CID 61393665) is 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide is CS(=O)(=O)Nc1nc(CC(=O)Nc2ccn[nH]2)cs1.
What is the InChIKey of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is PNVPURDKHNCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S2/c1-19(16,17)14-9-11-6(5-18-9)4-8(15)12-7-2-3-10-13-7/h2-3,5H,4H2,1H3,(H,11,14)(H2,10,12,13,15).
What are the key properties of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide?
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.42, 5 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-5-yl)acetamide is sourced from PubChem (CID 61393665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).