4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide

C10H13N3O2S2 — CID 43439887

IUPAC4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCC1CSC(Nc2ccc(S(N)(=O)=O)cc2)=N1
InChIInChI=1S/C10H13N3O2S2/c1-7-6-16-10(12-7)13-8-2-4-9(5-3-8)17(11,14)15/h2-5,7H,6H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyHRJMTHDWCNMTNM-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.24
Rot. Bonds2

About 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide

4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 43439887) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID43439887
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCC1CSC(Nc2ccc(S(N)(=O)=O)cc2)=N1
InChIInChI=1S/C10H13N3O2S2/c1-7-6-16-10(12-7)13-8-2-4-9(5-3-8)17(11,14)15/h2-5,7H,6H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyHRJMTHDWCNMTNM-UHFFFAOYSA-N
XLogP1.24
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 83188188
4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 65035993
N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440032
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439861
N-(4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187370
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 11688636
N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
N-(2-bromo-4-chlorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81274901
1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
CID 83188479
4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186701
4-[(2-methylthian-3-yl)amino]benzenesulfonamide
CID 79956808

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 43439887) is 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide is CC1CSC(Nc2ccc(S(N)(=O)=O)cc2)=N1.
What is the InChIKey of 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is HRJMTHDWCNMTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-7-6-16-10(12-7)13-8-2-4-9(5-3-8)17(11,14)15/h2-5,7H,6H2,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 43439887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).