N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide

C14H19N3O2S2 — CID 63689550

IUPACN-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1nc(-c2ccc(CN)cc2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-14(2,3)21(18,19)17-13-16-12(9-20-13)11-6-4-10(8-15)5-7-11/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyNTRFRTULAVXSPB-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.81
Rot. Bonds4

About N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide

N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 63689550) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID63689550
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1nc(-c2ccc(CN)cc2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-14(2,3)21(18,19)17-13-16-12(9-20-13)11-6-4-10(8-15)5-7-11/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyNTRFRTULAVXSPB-UHFFFAOYSA-N
XLogP2.81
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602747
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]prop-2-ene-1-sulfonamide
CID 79672605
N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689366
4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114810401
4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 59828852
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602534
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 3254844
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide (CID 63689550) is N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1nc(-c2ccc(CN)cc2)cs1.
What is the InChIKey of N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is NTRFRTULAVXSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-14(2,3)21(18,19)17-13-16-12(9-20-13)11-6-4-10(8-15)5-7-11/h4-7,9H,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).