3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

C16H22Cl2N4OS — CID 119882605

IUPAC3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NCCc2nc(-c3ccccn3)cs2)C1
InChIInChI=1S/C16H20N4OS.2ClH/c17-12-5-4-11(9-12)16(21)19-8-6-15-20-14(10-22-15)13-3-1-2-7-18-13;;/h1-3,7,10-12H,4-6,8-9,17H2,(H,19,21);2*1H
InChIKeyVBHYIWUNWAEPIM-UHFFFAOYSA-N
MW389.35 g/mol
LogP2.83
Rot. Bonds5

About 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119882605) has the molecular formula C16H22Cl2N4OS and a molecular weight of 389.35 g/mol. Its IUPAC name is 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119882605
Molecular FormulaC16H22Cl2N4OS
Molecular Weight389.35 g/mol
Exact Mass388.09
IUPAC Name3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NCCc2nc(-c3ccccn3)cs2)C1
InChIInChI=1S/C16H20N4OS.2ClH/c17-12-5-4-11(9-12)16(21)19-8-6-15-20-14(10-22-15)13-3-1-2-7-18-13;;/h1-3,7,10-12H,4-6,8-9,17H2,(H,19,21);2*1H
InChIKeyVBHYIWUNWAEPIM-UHFFFAOYSA-N
XLogP2.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119882610
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692173
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120941520
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119878944
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119882605) is 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)NCCc2nc(-c3ccccn3)cs2)C1.
What is the InChIKey of 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is VBHYIWUNWAEPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS.2ClH/c17-12-5-4-11(9-12)16(21)19-8-6-15-20-14(10-22-15)13-3-1-2-7-18-13;;/h1-3,7,10-12H,4-6,8-9,17H2,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 389.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119882605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).