4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C14H18N2O2S2 — CID 110728120

IUPAC4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2csc(C(C)C)n2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-10(2)14-16-12(9-19-14)8-15-20(17,18)13-6-4-11(3)5-7-13/h4-7,9-10,15H,8H2,1-3H3
InChIKeyIIOVFACGURSHAA-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.05
Rot. Bonds5

About 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 110728120) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID110728120
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2csc(C(C)C)n2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-10(2)14-16-12(9-19-14)8-15-20(17,18)13-6-4-11(3)5-7-13/h4-7,9-10,15H,8H2,1-3H3
InChIKeyIIOVFACGURSHAA-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558023
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558217
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
(2S)-1-(4-methylphenyl)sulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 56558184
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166611174
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 110728120) is 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2csc(C(C)C)n2)cc1.
What is the InChIKey of 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is IIOVFACGURSHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10(2)14-16-12(9-19-14)8-15-20(17,18)13-6-4-11(3)5-7-13/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110728120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).