N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride

C17H24Cl2N4O3S — CID 119603182

IUPACN-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NC2CCCC2CN)cs1.Cl.Cl
InChIInChI=1S/C17H22N4O3S.2ClH/c1-10-13(5-6-24-10)16(23)21-17-19-12(9-25-17)7-15(22)20-14-4-2-3-11(14)8-18;;/h5-6,9,11,14H,2-4,7-8,18H2,1H3,(H,20,22)(H,19,21,23);2*1H
InChIKeyMIHYXZAEXLDOJG-UHFFFAOYSA-N
MW435.38 g/mol
LogP2.93
Rot. Bonds6

About N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride

N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride (PubChem CID 119603182) has the molecular formula C17H24Cl2N4O3S and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
PubChem CID119603182
Molecular FormulaC17H24Cl2N4O3S
Molecular Weight435.38 g/mol
Exact Mass434.09
IUPAC NameN-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NC2CCCC2CN)cs1.Cl.Cl
InChIInChI=1S/C17H22N4O3S.2ClH/c1-10-13(5-6-24-10)16(23)21-17-19-12(9-25-17)7-15(22)20-14-4-2-3-11(14)8-18;;/h5-6,9,11,14H,2-4,7-8,18H2,1H3,(H,20,22)(H,19,21,23);2*1H
InChIKeyMIHYXZAEXLDOJG-UHFFFAOYSA-N
XLogP2.93
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119604992
2-methyl-N-[4-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47045235
N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119599066
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119042005
2-methyl-N-[4-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide;dihydrochloride
CID 119432117
N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761426
2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55803931
2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119536067
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
N-[2-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119603119

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride (CID 119603182) is N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride is Cc1occc1C(=O)Nc1nc(CC(=O)NC2CCCC2CN)cs1.Cl.Cl.
What is the InChIKey of N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride?
The InChIKey is MIHYXZAEXLDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S.2ClH/c1-10-13(5-6-24-10)16(23)21-17-19-12(9-25-17)7-15(22)20-14-4-2-3-11(14)8-18;;/h5-6,9,11,14H,2-4,7-8,18H2,1H3,(H,20,22)(H,19,21,23);2*1H.
What are the key properties of N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride?
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride has a molecular weight of 435.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119603182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).