2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid

C18H20N4O7S — CID 58238195

IUPAC2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)Nc2nccs2)c(=O)n(C2CCCCC2)c1O
InChIInChI=1S/C18H20N4O7S/c23-10(24)8-20-14(26)11-13(25)12(15(27)21-18-19-6-7-30-18)17(29)22(16(11)28)9-4-2-1-3-5-9/h6-7,9,25,28H,1-5,8H2,(H,20,26)(H,23,24)(H,19,21,27)
InChIKeyZZVBDRXXZWLRIK-UHFFFAOYSA-N
MW436.45 g/mol
LogP1.29
Rot. Bonds6

About 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid

2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238195) has the molecular formula C18H20N4O7S and a molecular weight of 436.45 g/mol. Its IUPAC name is 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
PubChem CID58238195
Molecular FormulaC18H20N4O7S
Molecular Weight436.45 g/mol
Exact Mass436.11
IUPAC Name2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)Nc2nccs2)c(=O)n(C2CCCCC2)c1O
InChIInChI=1S/C18H20N4O7S/c23-10(24)8-20-14(26)11-13(25)12(15(27)21-18-19-6-7-30-18)17(29)22(16(11)28)9-4-2-1-3-5-9/h6-7,9,25,28H,1-5,8H2,(H,20,26)(H,23,24)(H,19,21,27)
InChIKeyZZVBDRXXZWLRIK-UHFFFAOYSA-N
XLogP1.29
TPSA170.85 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 51.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid (CID 58238195) is 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)Nc2nccs2)c(=O)n(C2CCCCC2)c1O.
What is the InChIKey of 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is ZZVBDRXXZWLRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O7S/c23-10(24)8-20-14(26)11-13(25)12(15(27)21-18-19-6-7-30-18)17(29)22(16(11)28)9-4-2-1-3-5-9/h6-7,9,25,28H,1-5,8H2,(H,20,26)(H,23,24)(H,19,21,27).
What are the key properties of 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 436.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).