2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C14H20Cl2N4OS2 — CID 120647122

IUPAC2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NC2(c3nccs3)CCCC2)cs1
InChIInChI=1S/C14H18N4OS2.2ClH/c15-6-3-11-17-10(9-21-11)12(19)18-14(4-1-2-5-14)13-16-7-8-20-13;;/h7-9H,1-6,15H2,(H,18,19);2*1H
InChIKeyVZSIFDRRQKRVLS-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.14
Rot. Bonds5

About 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120647122) has the molecular formula C14H20Cl2N4OS2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120647122
Molecular FormulaC14H20Cl2N4OS2
Molecular Weight395.38 g/mol
Exact Mass394.05
IUPAC Name2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NC2(c3nccs3)CCCC2)cs1
InChIInChI=1S/C14H18N4OS2.2ClH/c15-6-3-11-17-10(9-21-11)12(19)18-14(4-1-2-5-14)13-16-7-8-20-13;;/h7-9H,1-6,15H2,(H,18,19);2*1H
InChIKeyVZSIFDRRQKRVLS-UHFFFAOYSA-N
XLogP3.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(1-phenylcyclopentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633064
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CID 119890194
2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624922
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028
2-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]pentanamide
CID 119890159
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623914
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639022
2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 119760269

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120647122) is 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCCc1nc(C(=O)NC2(c3nccs3)CCCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is VZSIFDRRQKRVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2.2ClH/c15-6-3-11-17-10(9-21-11)12(19)18-14(4-1-2-5-14)13-16-7-8-20-13;;/h7-9H,1-6,15H2,(H,18,19);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 395.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120647122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).