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

C14H18N2O2S2 — CID 166611174

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCC(C)(C)c1nc(CNS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C14H18N2O2S2/c1-14(2,3)13-16-11(10-19-13)9-15-20(17,18)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3
InChIKeyZIQVFYKJKSXGEQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.92
Rot. Bonds4

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 166611174) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID166611174
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCC(C)(C)c1nc(CNS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C14H18N2O2S2/c1-14(2,3)13-16-11(10-19-13)9-15-20(17,18)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3
InChIKeyZIQVFYKJKSXGEQ-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
CID 114985501
N-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 49463526
N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 22242920
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline
CID 115686019
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51120109
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 115591923
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 47611564
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 166611174) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is CC(C)(C)c1nc(CNS(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZIQVFYKJKSXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-14(2,3)13-16-11(10-19-13)9-15-20(17,18)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 166611174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).