2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C19H25ClFN3OS — CID 120639014

IUPAC2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)cs1
InChIInChI=1S/C19H24FN3OS.ClH/c20-15-5-3-4-14(12-15)9-11-23(16-6-1-2-7-16)19(24)17-13-25-18(22-17)8-10-21;/h3-5,12-13,16H,1-2,6-11,21H2;1H
InChIKeyYHAZIHNPOLRGPV-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.83
Rot. Bonds7

About 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120639014) has the molecular formula C19H25ClFN3OS and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120639014
Molecular FormulaC19H25ClFN3OS
Molecular Weight397.95 g/mol
Exact Mass397.14
IUPAC Name2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)cs1
InChIInChI=1S/C19H24FN3OS.ClH/c20-15-5-3-4-14(12-15)9-11-23(16-6-1-2-7-16)19(24)17-13-25-18(22-17)8-10-21;/h3-5,12-13,16H,1-2,6-11,21H2;1H
InChIKeyYHAZIHNPOLRGPV-UHFFFAOYSA-N
XLogP3.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66388908
2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056065
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308
2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631197
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630863
2-(2-aminoethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 66389102
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62788943
2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55583728
2-(2-aminoethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618568
2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120626362
2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646306
[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 69165945

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120639014) is 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is YHAZIHNPOLRGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS.ClH/c20-15-5-3-4-14(12-15)9-11-23(16-6-1-2-7-16)19(24)17-13-25-18(22-17)8-10-21;/h3-5,12-13,16H,1-2,6-11,21H2;1H.
What are the key properties of 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120639014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).