2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

C19H24N2O3S — CID 123401642

IUPAC2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCCCc1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)cs1
InChIInChI=1S/C19H24N2O3S/c1-3-7-17-21-16(12-25-17)18(22)20-15(10-13(2)19(23)24)11-14-8-5-4-6-9-14/h4-6,8-9,12-13,15H,3,7,10-11H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyREANODFRPIGDRP-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.55
Rot. Bonds9

About 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (PubChem CID 123401642) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
PubChem CID123401642
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCCCc1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)cs1
InChIInChI=1S/C19H24N2O3S/c1-3-7-17-21-16(12-25-17)18(22)20-15(10-13(2)19(23)24)11-14-8-5-4-6-9-14/h4-6,8-9,12-13,15H,3,7,10-11H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyREANODFRPIGDRP-UHFFFAOYSA-N
XLogP3.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

prop-2-enyl (2S,4R)-4-[[2-[(3R)-3-amino-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 132917776
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724
ethane;methyl 2-methyl-4-[[2-[4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoate;propane
CID 142601570
2-methyl-4-[[2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid
CID 74947484
(2S,4R)-2-methyl-4-[[2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid acetate
CID 160785321
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 104901991
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 66378440
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(3S)-2-amino-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 118447359
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
(2S,4R)-4-[[2-[(1R)-1-acetyloxy-4-methyl-3-[[(3S)-3-methylpentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 134494152
6-(methylamino)hexanamide;methyl 2-methyl-4-[[2-[4-methyl-3-[methyl(pentanoyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoate
CID 145146272
4-[[2-[5-acetyloxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 68726498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (CID 123401642) is 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is CCCc1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)cs1.
What is the InChIKey of 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is REANODFRPIGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-7-17-21-16(12-25-17)18(22)20-15(10-13(2)19(23)24)11-14-8-5-4-6-9-14/h4-6,8-9,12-13,15H,3,7,10-11H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 360.48 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-4-[(2-propyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 123401642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).