2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid

C15H16N2O3S — CID 62695531

IUPAC2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C15H16N2O3S/c18-13(17-12(15(19)20)9-6-7-9)11-8-21-14(16-11)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,17,18)(H,19,20)
InChIKeyHWVZJOIVPQMONK-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.53
Rot. Bonds5

About 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 62695531) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID62695531
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C15H16N2O3S/c18-13(17-12(15(19)20)9-6-7-9)11-8-21-14(16-11)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,17,18)(H,19,20)
InChIKeyHWVZJOIVPQMONK-UHFFFAOYSA-N
XLogP1.53
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid with MolForge

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 63295180
3-methyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43353957
N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 64974725
N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 82723067
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid
CID 119214109
[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
CID 60956763
(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25259748
(4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25257916
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7032537
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 107482480

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid (CID 62695531) is 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)C1CSC(c2ccccc2)=N1.
What is the InChIKey of 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is HWVZJOIVPQMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-13(17-12(15(19)20)9-6-7-9)11-8-21-14(16-11)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 304.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 62695531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).