4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid

C15H18N2O2S — CID 122059076

IUPAC4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H18N2O2S/c1-15(2,9-8-13(18)19)17-14-16-10-12(20-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUSZLFPXENAVTIV-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.87
Rot. Bonds6

About 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid

4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid (PubChem CID 122059076) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
PubChem CID122059076
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H18N2O2S/c1-15(2,9-8-13(18)19)17-14-16-10-12(20-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUSZLFPXENAVTIV-UHFFFAOYSA-N
XLogP3.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 155962659
2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133381734
4-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-methylpentanoic acid
CID 122059062
4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 94124993
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119720429
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62963353
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
(5-phenyl-1,3-thiazol-2-yl)hydrazine;hydrochloride
CID 121237517
2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 171152519

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid (CID 122059076) is 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid is CC(C)(CCC(=O)O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The InChIKey is USZLFPXENAVTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2,9-8-13(18)19)17-14-16-10-12(20-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid has a molecular weight of 290.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122059076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).