2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide

C12H20N4O3S2 — CID 119782557

IUPAC2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCCS(=O)(=O)NCC2CCC2)cs1
InChIInChI=1S/C12H20N4O3S2/c13-6-11-16-10(8-20-11)12(17)14-4-5-21(18,19)15-7-9-2-1-3-9/h8-9,15H,1-7,13H2,(H,14,17)
InChIKeyUDIRCILOALOMKO-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.05
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 119782557) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID119782557
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCCS(=O)(=O)NCC2CCC2)cs1
InChIInChI=1S/C12H20N4O3S2/c13-6-11-16-10(8-20-11)12(17)14-4-5-21(18,19)15-7-9-2-1-3-9/h8-9,15H,1-7,13H2,(H,14,17)
InChIKeyUDIRCILOALOMKO-UHFFFAOYSA-N
XLogP0.05
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119766803
2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 119777069
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120628142
2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375755
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide (CID 119782557) is 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NCCS(=O)(=O)NCC2CCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UDIRCILOALOMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c13-6-11-16-10(8-20-11)12(17)14-4-5-21(18,19)15-7-9-2-1-3-9/h8-9,15H,1-7,13H2,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119782557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).