2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid

C13H18N2O4S — CID 120548251

IUPAC2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCc1nc(C(=O)NC(C(=O)O)C2CCCOC2)c(C)s1
InChIInChI=1S/C13H18N2O4S/c1-7-10(14-8(2)20-7)12(16)15-11(13(17)18)9-4-3-5-19-6-9/h9,11H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySELVVVXDHFIGDV-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.37
Rot. Bonds4

About 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid

2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120548251) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120548251
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCc1nc(C(=O)NC(C(=O)O)C2CCCOC2)c(C)s1
InChIInChI=1S/C13H18N2O4S/c1-7-10(14-8(2)20-7)12(16)15-11(13(17)18)9-4-3-5-19-6-9/h9,11H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySELVVVXDHFIGDV-UHFFFAOYSA-N
XLogP1.37
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
(2S)-2-[(3S)-oxan-3-yl]-2-[[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 129470400
2-(oxan-3-yl)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 120548981
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547552
2-(oxan-3-yl)-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 120548551
2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120690229
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548477
2-[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548903
2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547625
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547493

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid (CID 120548251) is 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid is Cc1nc(C(=O)NC(C(=O)O)C2CCCOC2)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is SELVVVXDHFIGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-7-10(14-8(2)20-7)12(16)15-11(13(17)18)9-4-3-5-19-6-9/h9,11H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 298.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120548251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).