2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide

C12H10F3N3OS — CID 66373606

IUPAC2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2ccc(F)c(F)c2F)cs1
InChIInChI=1S/C12H10F3N3OS/c13-6-1-2-7(11(15)10(6)14)18-12(19)8-5-20-9(17-8)3-4-16/h1-2,5H,3-4,16H2,(H,18,19)
InChIKeyYWFLFQXUPKOMSD-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.31
Rot. Bonds4

About 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66373606) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID66373606
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2ccc(F)c(F)c2F)cs1
InChIInChI=1S/C12H10F3N3OS/c13-6-1-2-7(11(15)10(6)14)18-12(19)8-5-20-9(17-8)3-4-16/h1-2,5H,3-4,16H2,(H,18,19)
InChIKeyYWFLFQXUPKOMSD-UHFFFAOYSA-N
XLogP2.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(2-aminoethyl)-N-(3-hydroxy-2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 66390225
2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120627670
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 66389198
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide
CID 120635551
2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623754
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide
CID 120634539

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide (CID 66373606) is 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)Nc2ccc(F)c(F)c2F)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YWFLFQXUPKOMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c13-6-1-2-7(11(15)10(6)14)18-12(19)8-5-20-9(17-8)3-4-16/h1-2,5H,3-4,16H2,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 2.31, 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-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66373606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).