2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid

C14H15N3O3S — CID 66390847

IUPAC2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
SMILESNCCc1nc(C(=O)NC(C(=O)O)c2ccccc2)cs1
InChIInChI=1S/C14H15N3O3S/c15-7-6-11-16-10(8-21-11)13(18)17-12(14(19)20)9-4-2-1-3-5-9/h1-5,8,12H,6-7,15H2,(H,17,18)(H,19,20)
InChIKeyWRCKCTXNRMWXEP-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.20
Rot. Bonds6

About 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid

2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid (PubChem CID 66390847) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
PubChem CID66390847
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
SMILESNCCc1nc(C(=O)NC(C(=O)O)c2ccccc2)cs1
InChIInChI=1S/C14H15N3O3S/c15-7-6-11-16-10(8-21-11)13(18)17-12(14(19)20)9-4-2-1-3-5-9/h1-5,8,12H,6-7,15H2,(H,17,18)(H,19,20)
InChIKeyWRCKCTXNRMWXEP-UHFFFAOYSA-N
XLogP1.20
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 99702625
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 66391042
2-(2-aminoethyl)-N-(2-morpholin-4-yl-1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 120640463
2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120627358
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315280
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid (CID 66390847) is 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid is NCCc1nc(C(=O)NC(C(=O)O)c2ccccc2)cs1.
What is the InChIKey of 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is WRCKCTXNRMWXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-7-6-11-16-10(8-21-11)13(18)17-12(14(19)20)9-4-2-1-3-5-9/h1-5,8,12H,6-7,15H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid?
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 305.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 66390847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).