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

C13H12N4O2S2 — CID 122159919

IUPACN-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(-c3ccn[nH]3)n2)cc1
InChIInChI=1S/C13H12N4O2S2/c1-21(18,19)17-10-4-2-9(3-5-10)12-8-20-13(15-12)11-6-7-14-16-11/h2-8,17H,1H3,(H,14,16)
InChIKeyGYKKPGNBEJJXLU-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.57
Rot. Bonds4

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

N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 122159919) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID122159919
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(-c3ccn[nH]3)n2)cc1
InChIInChI=1S/C13H12N4O2S2/c1-21(18,19)17-10-4-2-9(3-5-10)12-8-20-13(15-12)11-6-7-14-16-11/h2-8,17H,1H3,(H,14,16)
InChIKeyGYKKPGNBEJJXLU-UHFFFAOYSA-N
XLogP2.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
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N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 60528746
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
N-[4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340285
N-[4-[2-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166410275
N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340281
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 122159919) is N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2csc(-c3ccn[nH]3)n2)cc1.
What is the InChIKey of N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is GYKKPGNBEJJXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-21(18,19)17-10-4-2-9(3-5-10)12-8-20-13(15-12)11-6-7-14-16-11/h2-8,17H,1H3,(H,14,16).
What are the key properties of N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 122159919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).