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

C15H17ClF3N3OS — CID 120638651

IUPAC2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)Nc2cccc(CCC(F)(F)F)c2)cs1
InChIInChI=1S/C15H16F3N3OS.ClH/c16-15(17,18)6-4-10-2-1-3-11(8-10)20-14(22)12-9-23-13(21-12)5-7-19;/h1-3,8-9H,4-7,19H2,(H,20,22);1H
InChIKeyMBEYWENAHHOLEJ-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.81
Rot. Bonds6

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

2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120638651) has the molecular formula C15H17ClF3N3OS and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120638651
Molecular FormulaC15H17ClF3N3OS
Molecular Weight379.84 g/mol
Exact Mass379.07
IUPAC Name2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)Nc2cccc(CCC(F)(F)F)c2)cs1
InChIInChI=1S/C15H16F3N3OS.ClH/c16-15(17,18)6-4-10-2-1-3-11(8-10)20-14(22)12-9-23-13(21-12)5-7-19;/h1-3,8-9H,4-7,19H2,(H,20,22);1H
InChIKeyMBEYWENAHHOLEJ-UHFFFAOYSA-N
XLogP3.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
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2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120638651) is 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)Nc2cccc(CCC(F)(F)F)c2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is MBEYWENAHHOLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS.ClH/c16-15(17,18)6-4-10-2-1-3-11(8-10)20-14(22)12-9-23-13(21-12)5-7-19;/h1-3,8-9H,4-7,19H2,(H,20,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).