4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine

C11H16N4O2S3 — CID 114810403

IUPAC4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
SMILESCCCNS(=O)(=O)Nc1nc(-c2ccc(CN)s2)cs1
InChIInChI=1S/C11H16N4O2S3/c1-2-5-13-20(16,17)15-11-14-9(7-18-11)10-4-3-8(6-12)19-10/h3-4,7,13H,2,5-6,12H2,1H3,(H,14,15)
InChIKeyKPIIKDRNQYGUIX-UHFFFAOYSA-N
MW332.48 g/mol
LogP1.99
Rot. Bonds7

About 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine

4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine (PubChem CID 114810403) has the molecular formula C11H16N4O2S3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
PubChem CID114810403
Molecular FormulaC11H16N4O2S3
Molecular Weight332.48 g/mol
Exact Mass332.04
IUPAC Name4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
SMILESCCCNS(=O)(=O)Nc1nc(-c2ccc(CN)s2)cs1
InChIInChI=1S/C11H16N4O2S3/c1-2-5-13-20(16,17)15-11-14-9(7-18-11)10-4-3-8(6-12)19-10/h3-4,7,13H,2,5-6,12H2,1H3,(H,14,15)
InChIKeyKPIIKDRNQYGUIX-UHFFFAOYSA-N
XLogP1.99
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810414
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8750708
N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603177
N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603170
4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine
CID 114810448
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689366
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114810401
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689550
3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 114812190

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine (CID 114810403) is 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine is CCCNS(=O)(=O)Nc1nc(-c2ccc(CN)s2)cs1.
What is the InChIKey of 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The InChIKey is KPIIKDRNQYGUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S3/c1-2-5-13-20(16,17)15-11-14-9(7-18-11)10-4-3-8(6-12)19-10/h3-4,7,13H,2,5-6,12H2,1H3,(H,14,15).
What are the key properties of 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine has a molecular weight of 332.48 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114810403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).