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

C11H17N3O3S — CID 82845398

IUPAC5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1nc(N)sc1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C11H17N3O3S/c1-6(4-3-5-8(15)16)13-10(17)9-7(2)14-11(12)18-9/h6H,3-5H2,1-2H3,(H2,12,14)(H,13,17)(H,15,16)
InChIKeyHMUNIEDEOAQXTG-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.41
Rot. Bonds6

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

5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 82845398) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
PubChem CID82845398
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1nc(N)sc1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C11H17N3O3S/c1-6(4-3-5-8(15)16)13-10(17)9-7(2)14-11(12)18-9/h6H,3-5H2,1-2H3,(H2,12,14)(H,13,17)(H,15,16)
InChIKeyHMUNIEDEOAQXTG-UHFFFAOYSA-N
XLogP1.41
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (CID 82845398) is 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is Cc1nc(N)sc1C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is HMUNIEDEOAQXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6(4-3-5-8(15)16)13-10(17)9-7(2)14-11(12)18-9/h6H,3-5H2,1-2H3,(H2,12,14)(H,13,17)(H,15,16).
What are the key properties of 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82845398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).