2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

C14H16FN3O2S — CID 120626362

IUPAC2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC(O)c2cccc(F)c2)cs1
InChIInChI=1S/C14H16FN3O2S/c15-10-3-1-2-9(6-10)12(19)7-17-14(20)11-8-21-13(18-11)4-5-16/h1-3,6,8,12,19H,4-5,7,16H2,(H,17,20)
InChIKeyGALNMDIRVIICBP-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.25
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120626362) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
PubChem CID120626362
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC(O)c2cccc(F)c2)cs1
InChIInChI=1S/C14H16FN3O2S/c15-10-3-1-2-9(6-10)12(19)7-17-14(20)11-8-21-13(18-11)4-5-16/h1-3,6,8,12,19H,4-5,7,16H2,(H,17,20)
InChIKeyGALNMDIRVIICBP-UHFFFAOYSA-N
XLogP1.25
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119765495
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120639941
2-(2-aminoethyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120639799
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120621953
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308
2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120620229
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 66388619

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (CID 120626362) is 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCC(O)c2cccc(F)c2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GALNMDIRVIICBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-10-3-1-2-9(6-10)12(19)7-17-14(20)11-8-21-13(18-11)4-5-16/h1-3,6,8,12,19H,4-5,7,16H2,(H,17,20).
What are the key properties of 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120626362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).