2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid

C22H28N4O7S — CID 58238009

IUPAC2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
SMILESCC(C)(C)c1csc(NC(=O)c2c(O)c(C(=O)NCC(=O)O)c(O)n(C3CCCCC3)c2=O)n1
InChIInChI=1S/C22H28N4O7S/c1-22(2,3)12-10-34-21(24-12)25-18(31)15-16(29)14(17(30)23-9-13(27)28)19(32)26(20(15)33)11-7-5-4-6-8-11/h10-11,29,32H,4-9H2,1-3H3,(H,23,30)(H,27,28)(H,24,25,31)
InChIKeyQCFPAEQDPBQSEP-UHFFFAOYSA-N
MW492.55 g/mol
LogP2.59
Rot. Bonds6

About 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid

2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238009) has the molecular formula C22H28N4O7S and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238009
Molecular FormulaC22H28N4O7S
Molecular Weight492.55 g/mol
Exact Mass492.17
IUPAC Name2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
SMILESCC(C)(C)c1csc(NC(=O)c2c(O)c(C(=O)NCC(=O)O)c(O)n(C3CCCCC3)c2=O)n1
InChIInChI=1S/C22H28N4O7S/c1-22(2,3)12-10-34-21(24-12)25-18(31)15-16(29)14(17(30)23-9-13(27)28)19(32)26(20(15)33)11-7-5-4-6-8-11/h10-11,29,32H,4-9H2,1-3H3,(H,23,30)(H,27,28)(H,24,25,31)
InChIKeyQCFPAEQDPBQSEP-UHFFFAOYSA-N
XLogP2.59
TPSA170.85 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 52.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
CID 58238195
2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238080
2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831194
2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid
CID 59313208
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91945783
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467861
2-[[1-cyclohexyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830725
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 24648468
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79322066

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238009) is 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid is CC(C)(C)c1csc(NC(=O)c2c(O)c(C(=O)NCC(=O)O)c(O)n(C3CCCCC3)c2=O)n1.
What is the InChIKey of 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is QCFPAEQDPBQSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O7S/c1-22(2,3)12-10-34-21(24-12)25-18(31)15-16(29)14(17(30)23-9-13(27)28)19(32)26(20(15)33)11-7-5-4-6-8-11/h10-11,29,32H,4-9H2,1-3H3,(H,23,30)(H,27,28)(H,24,25,31).
What are the key properties of 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 492.55 g/mol, XLogP of 2.59, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1-cyclohexyl-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).