(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid

C15H15FN2O3S — CID 100816089

IUPAC(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCc1cnc(NC(=O)C[C@H](CC(=O)O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H15FN2O3S/c1-9-8-17-15(22-9)18-13(19)6-11(7-14(20)21)10-2-4-12(16)5-3-10/h2-5,8,11H,6-7H2,1H3,(H,20,21)(H,17,18,19)/t11-/m1/s1
InChIKeyNLQDJOJLKBRFLC-LLVKDONJSA-N
MW322.36 g/mol
LogP3.18
Rot. Bonds6

About (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid

(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid (PubChem CID 100816089) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
PubChem CID100816089
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCc1cnc(NC(=O)C[C@H](CC(=O)O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H15FN2O3S/c1-9-8-17-15(22-9)18-13(19)6-11(7-14(20)21)10-2-4-12(16)5-3-10/h2-5,8,11H,6-7H2,1H3,(H,20,21)(H,17,18,19)/t11-/m1/s1
InChIKeyNLQDJOJLKBRFLC-LLVKDONJSA-N
XLogP3.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 9451642
[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate
CID 4530205
3-amino-4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894875
2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 17190951
2-(2-hydroxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 78990794
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid
CID 91953042
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744
3-(4-fluorophenyl)-5-oxo-5-(4-pyrrol-1-ylanilino)pentanoic acid
CID 91953110
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17483229

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid (CID 100816089) is (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid is Cc1cnc(NC(=O)C[C@H](CC(=O)O)c2ccc(F)cc2)s1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is NLQDJOJLKBRFLC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-9-8-17-15(22-9)18-13(19)6-11(7-14(20)21)10-2-4-12(16)5-3-10/h2-5,8,11H,6-7H2,1H3,(H,20,21)(H,17,18,19)/t11-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 322.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 100816089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).