(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid

C14H13FN2O3S — CID 51663849

IUPAC(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H13FN2O3S/c1-7-11(12(18)16-8(2)14(19)20)21-13(17-7)9-3-5-10(15)6-4-9/h3-6,8H,1-2H3,(H,16,18)(H,19,20)/t8-/m1/s1
InChIKeyLARBWXKOICWGSS-MRVPVSSYSA-N
MW308.33 g/mol
LogP2.46
Rot. Bonds4

About (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid

(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid (PubChem CID 51663849) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
PubChem CID51663849
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H13FN2O3S/c1-7-11(12(18)16-8(2)14(19)20)21-13(17-7)9-3-5-10(15)6-4-9/h3-6,8H,1-2H3,(H,16,18)(H,19,20)/t8-/m1/s1
InChIKeyLARBWXKOICWGSS-MRVPVSSYSA-N
XLogP2.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 45370467
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
N-[1-(1-adamantyl)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788166
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788207
N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120650920
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid (CID 51663849) is (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid is Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The InChIKey is LARBWXKOICWGSS-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-7-11(12(18)16-8(2)14(19)20)21-13(17-7)9-3-5-10(15)6-4-9/h3-6,8H,1-2H3,(H,16,18)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid?
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid has a molecular weight of 308.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 51663849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).