N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C14H12N2O3S2 — CID 32500964

IUPACN-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C14H12N2O3S2/c1-21(17,18)16-11-6-4-10(5-7-11)12-9-20-14(15-12)13-3-2-8-19-13/h2-9,16H,1H3
InChIKeyXIWGVFDWXOLIJO-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.44
Rot. Bonds4

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

N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 32500964) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID32500964
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC NameN-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C14H12N2O3S2/c1-21(17,18)16-11-6-4-10(5-7-11)12-9-20-14(15-12)13-3-2-8-19-13/h2-9,16H,1H3
InChIKeyXIWGVFDWXOLIJO-UHFFFAOYSA-N
XLogP3.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenol
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N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 60528746
N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide
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N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 122159919
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-[2-[5-[2-(furan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 25487674
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 25468910
N-[4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340285
2-(furan-2-yl)-4-(1-methylpyrrol-2-yl)-1,3-thiazole
CID 32501072
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 46667755
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 32500964) is N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2csc(-c3ccco3)n2)cc1.
What is the InChIKey of N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is XIWGVFDWXOLIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-21(17,18)16-11-6-4-10(5-7-11)12-9-20-14(15-12)13-3-2-8-19-13/h2-9,16H,1H3.
What are the key properties of N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 32500964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).