2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride

C19H23ClF3N3OS — CID 120631197

IUPAC2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cs1
InChIInChI=1S/C19H22F3N3OS.ClH/c20-19(21,22)15-8-4-1-5-13(15)11-25(14-6-2-3-7-14)18(26)16-12-27-17(24-16)9-10-23;/h1,4-5,8,12,14H,2-3,6-7,9-11,23H2;1H
InChIKeyKBNJJBBNFIEALL-UHFFFAOYSA-N
MW433.93 g/mol
LogP4.67
Rot. Bonds6

About 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120631197) has the molecular formula C19H23ClF3N3OS and a molecular weight of 433.93 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120631197
Molecular FormulaC19H23ClF3N3OS
Molecular Weight433.93 g/mol
Exact Mass433.12
IUPAC Name2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cs1
InChIInChI=1S/C19H22F3N3OS.ClH/c20-19(21,22)15-8-4-1-5-13(15)11-25(14-6-2-3-7-14)18(26)16-12-27-17(24-16)9-10-23;/h1,4-5,8,12,14H,2-3,6-7,9-11,23H2;1H
InChIKeyKBNJJBBNFIEALL-UHFFFAOYSA-N
XLogP4.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119691625
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
CID 100645896
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709
2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66388908
N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 99716528
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630863
2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639014
2-(2-aminoethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 66389102
2-(2-aminoethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618568
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119715290
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66389758

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120631197) is 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is KBNJJBBNFIEALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS.ClH/c20-19(21,22)15-8-4-1-5-13(15)11-25(14-6-2-3-7-14)18(26)16-12-27-17(24-16)9-10-23;/h1,4-5,8,12,14H,2-3,6-7,9-11,23H2;1H.
What are the key properties of 2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 433.93 g/mol, XLogP of 4.67, 6 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-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120631197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).