N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide

C12H14N2O2S2 — CID 889605

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCCc1sc(NS(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C12H14N2O2S2/c1-3-10-11(9-7-5-4-6-8-9)13-12(17-10)14-18(2,15)16/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyDVZRKGSRGYFCGW-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.74
Rot. Bonds4

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 889605) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID889605
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCCc1sc(NS(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C12H14N2O2S2/c1-3-10-11(9-7-5-4-6-8-9)13-12(17-10)14-18(2,15)16/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyDVZRKGSRGYFCGW-UHFFFAOYSA-N
XLogP2.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Amino-4,5-diphenylthiazole
CID 73222
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4-Methyl-5-phenyl-thiazol-2-ylamine
CID 244067
N-(4,5-Dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 548045

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide (CID 889605) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide is CCc1sc(NS(C)(=O)=O)nc1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is DVZRKGSRGYFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-3-10-11(9-7-5-4-6-8-9)13-12(17-10)14-18(2,15)16/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 889605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).