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

C12H19N3O3S — CID 82854225

IUPAC5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C12H19N3O3S/c1-7(2)10-11(19-15-14-10)12(18)13-8(3)5-4-6-9(16)17/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyLJSAKGNJCVBSQP-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.03
Rot. Bonds7

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

5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 82854225) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
PubChem CID82854225
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C12H19N3O3S/c1-7(2)10-11(19-15-14-10)12(18)13-8(3)5-4-6-9(16)17/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyLJSAKGNJCVBSQP-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204861
4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65206855
(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
CID 104964709
N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 113496232
N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204514
N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204185
methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
CID 114283611
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204140
N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204488
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82845398
N-(4-iodobutyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106846443
N-(2-amino-2-sulfanylideneethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204663

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid (CID 82854225) is 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)c1snnc1C(C)C.
What is the InChIKey of 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is LJSAKGNJCVBSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7(2)10-11(19-15-14-10)12(18)13-8(3)5-4-6-9(16)17/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid?
5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82854225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).