N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C15H20ClN3O2S — CID 119568385

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C(=O)NC3(CN)CCCC3)cs2)o1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-4-5-12(20-10)14-17-11(8-21-14)13(19)18-15(9-16)6-2-3-7-15;/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,18,19);1H
InChIKeyDQHKXNFWJCLEHN-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119568385) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119568385
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C(=O)NC3(CN)CCCC3)cs2)o1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-4-5-12(20-10)14-17-11(8-21-14)13(19)18-15(9-16)6-2-3-7-15;/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,18,19);1H
InChIKeyDQHKXNFWJCLEHN-UHFFFAOYSA-N
XLogP3.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119567922
N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
N-[2-(aminomethyl)cyclohexyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119612433
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120889232
N-[1-(aminomethyl)cyclopentyl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 119568446
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 86982381
N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119566646
2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78870009
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 102553557

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119568385) is N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccc(-c2nc(C(=O)NC3(CN)CCCC3)cs2)o1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is DQHKXNFWJCLEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-10-4-5-12(20-10)14-17-11(8-21-14)13(19)18-15(9-16)6-2-3-7-15;/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119568385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).