6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid

C11H15N3O4S — CID 43447377

IUPAC6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid
SMILESCc1csc(NC(=O)NC(=O)CCCCC(=O)O)n1
InChIInChI=1S/C11H15N3O4S/c1-7-6-19-11(12-7)14-10(18)13-8(15)4-2-3-5-9(16)17/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyGQXQUOVDMNPHBJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.74
Rot. Bonds6

About 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid

6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid (PubChem CID 43447377) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid
PubChem CID43447377
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid
SMILESCc1csc(NC(=O)NC(=O)CCCCC(=O)O)n1
InChIInChI=1S/C11H15N3O4S/c1-7-6-19-11(12-7)14-10(18)13-8(15)4-2-3-5-9(16)17/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyGQXQUOVDMNPHBJ-UHFFFAOYSA-N
XLogP1.74
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid (CID 43447377) is 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid is Cc1csc(NC(=O)NC(=O)CCCCC(=O)O)n1.
What is the InChIKey of 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid?
The InChIKey is GQXQUOVDMNPHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7-6-19-11(12-7)14-10(18)13-8(15)4-2-3-5-9(16)17/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15,18).
What are the key properties of 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid?
6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-6-oxohexanoic acid is sourced from PubChem (CID 43447377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).