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

C13H19ClF3N3OS — CID 120619724

IUPAC2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NC2CCC(C(F)(F)F)CC2)cs1
InChIInChI=1S/C13H18F3N3OS.ClH/c14-13(15,16)8-1-3-9(4-2-8)18-12(20)10-7-21-11(19-10)5-6-17;/h7-9H,1-6,17H2,(H,18,20);1H
InChIKeyPANWUAHUPYSRAN-UHFFFAOYSA-N
MW357.83 g/mol
LogP2.92
Rot. Bonds4

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

2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120619724) has the molecular formula C13H19ClF3N3OS and a molecular weight of 357.83 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120619724
Molecular FormulaC13H19ClF3N3OS
Molecular Weight357.83 g/mol
Exact Mass357.09
IUPAC Name2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NC2CCC(C(F)(F)F)CC2)cs1
InChIInChI=1S/C13H18F3N3OS.ClH/c14-13(15,16)8-1-3-9(4-2-8)18-12(20)10-7-21-11(19-10)5-6-17;/h7-9H,1-6,17H2,(H,18,20);1H
InChIKeyPANWUAHUPYSRAN-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 66377831
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120628332
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 120619547
2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120619724) is 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)NC2CCC(C(F)(F)F)CC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is PANWUAHUPYSRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS.ClH/c14-13(15,16)8-1-3-9(4-2-8)18-12(20)10-7-21-11(19-10)5-6-17;/h7-9H,1-6,17H2,(H,18,20);1H.
What are the key properties of 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 357.83 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120619724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).