N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride

C16H24Cl2N4O2S — CID 119601422

IUPACN-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1SCc1ccc(C(=O)NC2CCCC2CN)o1
InChIInChI=1S/C16H22N4O2S.2ClH/c1-20-8-7-18-16(20)23-10-12-5-6-14(22-12)15(21)19-13-4-2-3-11(13)9-17;;/h5-8,11,13H,2-4,9-10,17H2,1H3,(H,19,21);2*1H
InChIKeyPPKCHSKFTBWHED-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride (PubChem CID 119601422) has the molecular formula C16H24Cl2N4O2S and a molecular weight of 407.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
PubChem CID119601422
Molecular FormulaC16H24Cl2N4O2S
Molecular Weight407.37 g/mol
Exact Mass406.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1SCc1ccc(C(=O)NC2CCCC2CN)o1
InChIInChI=1S/C16H22N4O2S.2ClH/c1-20-8-7-18-16(20)23-10-12-5-6-14(22-12)15(21)19-13-4-2-3-11(13)9-17;;/h5-8,11,13H,2-4,9-10,17H2,1H3,(H,19,21);2*1H
InChIKeyPPKCHSKFTBWHED-UHFFFAOYSA-N
XLogP3.01
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119589563
(4-aminopiperidin-1-yl)-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone;dihydrochloride
CID 119373580
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 120945905
N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119586050
N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55618550
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60555051
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 120742864
N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride (CID 119601422) is N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride is Cl.Cl.Cn1ccnc1SCc1ccc(C(=O)NC2CCCC2CN)o1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride?
The InChIKey is PPKCHSKFTBWHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.2ClH/c1-20-8-7-18-16(20)23-10-12-5-6-14(22-12)15(21)19-13-4-2-3-11(13)9-17;;/h5-8,11,13H,2-4,9-10,17H2,1H3,(H,19,21);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride has a molecular weight of 407.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119601422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).