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

C19H23N3O4S — CID 120695141

IUPAC(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCc1nc(-c2ccccc2)c(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)s1
InChIInChI=1S/C19H23N3O4S/c1-11(2)9-14(19(25)26)22-15(23)10-20-18(24)17-16(21-12(3)27-17)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,20,24)(H,22,23)(H,25,26)/t14-/m0/s1
InChIKeySVYQTKMNILFUCN-AWEZNQCLSA-N
MW389.48 g/mol
LogP2.46
Rot. Bonds8

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

(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120695141) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid
PubChem CID120695141
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCc1nc(-c2ccccc2)c(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)s1
InChIInChI=1S/C19H23N3O4S/c1-11(2)9-14(19(25)26)22-15(23)10-20-18(24)17-16(21-12(3)27-17)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,20,24)(H,22,23)(H,25,26)/t14-/m0/s1
InChIKeySVYQTKMNILFUCN-AWEZNQCLSA-N
XLogP2.46
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695115
N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 118917738
2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 9153234
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
(2S)-4-methyl-2-[[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120694342
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 17466495
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
(2S)-4-methyl-2-[[2-[(3-methylpyridine-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695622
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119358383
(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695237

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid (CID 120695141) is (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid is Cc1nc(-c2ccccc2)c(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)s1.
What is the InChIKey of (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is SVYQTKMNILFUCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-11(2)9-14(19(25)26)22-15(23)10-20-18(24)17-16(21-12(3)27-17)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,20,24)(H,22,23)(H,25,26)/t14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 389.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120695141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).