6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

C12H18N2O3S — CID 29132123

IUPAC6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1nc(C)c(C(=O)NCCCCCC(=O)O)s1
InChIInChI=1S/C12H18N2O3S/c1-8-11(18-9(2)14-8)12(17)13-7-5-3-4-6-10(15)16/h3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyWACWHHOVKANFNT-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.13
Rot. Bonds7

About 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 29132123) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
PubChem CID29132123
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1nc(C)c(C(=O)NCCCCCC(=O)O)s1
InChIInChI=1S/C12H18N2O3S/c1-8-11(18-9(2)14-8)12(17)13-7-5-3-4-6-10(15)16/h3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyWACWHHOVKANFNT-UHFFFAOYSA-N
XLogP2.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (CID 29132123) is 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is Cc1nc(C)c(C(=O)NCCCCCC(=O)O)s1.
What is the InChIKey of 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is WACWHHOVKANFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-11(18-9(2)14-8)12(17)13-7-5-3-4-6-10(15)16/h3-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 29132123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).