4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid

C12H19N3O3S — CID 65206855

IUPAC4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1snnc1C(C)C)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-6(2)5-8(12(17)18)13-11(16)10-9(7(3)4)14-15-19-10/h6-8H,5H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyCYFVYAZJRPDSFM-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.89
Rot. Bonds6

About 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid

4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 65206855) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
PubChem CID65206855
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1snnc1C(C)C)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-6(2)5-8(12(17)18)13-11(16)10-9(7(3)4)14-15-19-10/h6-8H,5H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyCYFVYAZJRPDSFM-UHFFFAOYSA-N
XLogP1.89
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
CID 114283611
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 79245995
3-methyl-2-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65214959
(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 119363452
(2S)-2-[[2-[(4-ethylthiadiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694717
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
(2R)-2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 110835406
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 113430435
(2S)-4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873953
N-(4-iodobutyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106846443
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid (CID 65206855) is 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1snnc1C(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is CYFVYAZJRPDSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-6(2)5-8(12(17)18)13-11(16)10-9(7(3)4)14-15-19-10/h6-8H,5H2,1-4H3,(H,13,16)(H,17,18).
What are the key properties of 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid?
4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 65206855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).