2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid

C21H21N3O5S — CID 87848648

IUPAC2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1c(C)cc(C(=O)Nc2nc(CC(=O)O)cs2)c(=O)n1Cc1ccc(O)cc1
InChIInChI=1S/C21H21N3O5S/c1-3-17-12(2)8-16(19(28)23-21-22-14(11-30-21)9-18(26)27)20(29)24(17)10-13-4-6-15(25)7-5-13/h4-8,11,25H,3,9-10H2,1-2H3,(H,26,27)(H,22,23,28)
InChIKeySREGUWMSZUUMLH-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.81
Rot. Bonds7

About 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87848648) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87848648
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1c(C)cc(C(=O)Nc2nc(CC(=O)O)cs2)c(=O)n1Cc1ccc(O)cc1
InChIInChI=1S/C21H21N3O5S/c1-3-17-12(2)8-16(19(28)23-21-22-14(11-30-21)9-18(26)27)20(29)24(17)10-13-4-6-15(25)7-5-13/h4-8,11,25H,3,9-10H2,1-2H3,(H,26,27)(H,22,23,28)
InChIKeySREGUWMSZUUMLH-UHFFFAOYSA-N
XLogP2.81
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455
2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102810057
2-[5-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-1,2,4-thiadiazol-3-yl]acetic acid
CID 69475769
2-[2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 60708471
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
methyl 2-[2-[(2-chloro-5-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 106502724
2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106683297
2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 28777667
2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102534728
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
2-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43354576
2-[2-[[4-(methylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43242168

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 87848648) is 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid is CCc1c(C)cc(C(=O)Nc2nc(CC(=O)O)cs2)c(=O)n1Cc1ccc(O)cc1.
What is the InChIKey of 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is SREGUWMSZUUMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-3-17-12(2)8-16(19(28)23-21-22-14(11-30-21)9-18(26)27)20(29)24(17)10-13-4-6-15(25)7-5-13/h4-8,11,25H,3,9-10H2,1-2H3,(H,26,27)(H,22,23,28).
What are the key properties of 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 427.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87848648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).