2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide

C11H14N2O2S3 — CID 86839289

IUPAC2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cnc(C)s2)c(C)s1
InChIInChI=1S/C11H14N2O2S3/c1-7-4-11(8(2)16-7)18(14,15)13-6-10-5-12-9(3)17-10/h4-5,13H,6H2,1-3H3
InChIKeyZRHJBYPZNPIPKX-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.61
Rot. Bonds4

About 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide (PubChem CID 86839289) has the molecular formula C11H14N2O2S3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
PubChem CID86839289
Molecular FormulaC11H14N2O2S3
Molecular Weight302.45 g/mol
Exact Mass302.02
IUPAC Name2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cnc(C)s2)c(C)s1
InChIInChI=1S/C11H14N2O2S3/c1-7-4-11(8(2)16-7)18(14,15)13-6-10-5-12-9(3)17-10/h4-5,13H,6H2,1-3H3
InChIKeyZRHJBYPZNPIPKX-UHFFFAOYSA-N
XLogP2.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 53593677
N-[2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 71923267
N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 121536039
5-ethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595091
5-(Benzenesulfonylmethyl)-2-methyl-1,3-thiazole
CID 134908094
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 48560616
4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 51892254
2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 51892255
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60283255
4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61282276
2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61282277
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 71997186

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide (CID 86839289) is 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCc2cnc(C)s2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is ZRHJBYPZNPIPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S3/c1-7-4-11(8(2)16-7)18(14,15)13-6-10-5-12-9(3)17-10/h4-5,13H,6H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 302.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 86839289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).