4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine

C13H16N4O2S2 — CID 114810401

IUPAC4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
SMILESNCc1ccc(-c2csc(NS(=O)(=O)NC3CC3)n2)cc1
InChIInChI=1S/C13H16N4O2S2/c14-7-9-1-3-10(4-2-9)12-8-20-13(15-12)17-21(18,19)16-11-5-6-11/h1-4,8,11,16H,5-7,14H2,(H,15,17)
InChIKeyRBHDDHFFEDMDPU-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.68
Rot. Bonds6

About 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine

4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine (PubChem CID 114810401) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
PubChem CID114810401
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
SMILESNCc1ccc(-c2csc(NS(=O)(=O)NC3CC3)n2)cc1
InChIInChI=1S/C13H16N4O2S2/c14-7-9-1-3-10(4-2-9)12-8-20-13(15-12)17-21(18,19)16-11-5-6-11/h1-4,8,11,16H,5-7,14H2,(H,15,17)
InChIKeyRBHDDHFFEDMDPU-UHFFFAOYSA-N
XLogP1.68
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114804526
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602747
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689550
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]prop-2-ene-1-sulfonamide
CID 79672605
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904
[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 64986273
4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 59828852
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602534
(2R)-1-[4-(aminomethyl)phenyl]sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 166554689

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine (CID 114810401) is 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine is NCc1ccc(-c2csc(NS(=O)(=O)NC3CC3)n2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine?
The InChIKey is RBHDDHFFEDMDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c14-7-9-1-3-10(4-2-9)12-8-20-13(15-12)17-21(18,19)16-11-5-6-11/h1-4,8,11,16H,5-7,14H2,(H,15,17).
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine?
4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine has a molecular weight of 324.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114810401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).