N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide

C14H18N2O2S2 — CID 3254844

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCC(C)(C)c1ccc(-c2csc(NS(C)(=O)=O)n2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-14(2,3)11-7-5-10(6-8-11)12-9-19-13(15-12)16-20(4,17)18/h5-9H,1-4H3,(H,15,16)
InChIKeyQKORZOGJIFAYAF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.48
Rot. Bonds3

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 3254844) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID3254844
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCC(C)(C)c1ccc(-c2csc(NS(C)(=O)=O)n2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-14(2,3)11-7-5-10(6-8-11)12-9-19-13(15-12)16-20(4,17)18/h5-9H,1-4H3,(H,15,16)
InChIKeyQKORZOGJIFAYAF-UHFFFAOYSA-N
XLogP3.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689550
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide
CID 108781169

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide (CID 3254844) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide is CC(C)(C)c1ccc(-c2csc(NS(C)(=O)=O)n2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is QKORZOGJIFAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-14(2,3)11-7-5-10(6-8-11)12-9-19-13(15-12)16-20(4,17)18/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 3254844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).