(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid

C12H19N3O3S — CID 65205940

IUPAC(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCc1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C12H19N3O3S/c1-4-6-8-10(19-15-14-8)11(16)13-9(12(17)18)7(3)5-2/h7,9H,4-6H2,1-3H3,(H,13,16)(H,17,18)/t7-,9-/m0/s1
InChIKeyMNKMMNPOBHCXOO-CBAPKCEASA-N
MW285.37 g/mol
LogP1.72
Rot. Bonds7

About (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid

(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 65205940) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
PubChem CID65205940
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCc1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C12H19N3O3S/c1-4-6-8-10(19-15-14-8)11(16)13-9(12(17)18)7(3)5-2/h7,9H,4-6H2,1-3H3,(H,13,16)(H,17,18)/t7-,9-/m0/s1
InChIKeyMNKMMNPOBHCXOO-CBAPKCEASA-N
XLogP1.72
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
CID 65204910
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
(2S)-3-methyl-2-(thiadiazole-5-carbonylamino)pentanoic acid
CID 61172933
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 106153352
N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 65205384
tert-butyl (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
CID 81000063
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206041
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid (CID 65205940) is (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid is CCCc1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is MNKMMNPOBHCXOO-CBAPKCEASA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-6-8-10(19-15-14-8)11(16)13-9(12(17)18)7(3)5-2/h7,9H,4-6H2,1-3H3,(H,13,16)(H,17,18)/t7-,9-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid?
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 65205940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).