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

C12H16N2O4S — CID 119215709

IUPAC2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCc1ncsc1C(=O)NC1(CC(=O)O)CCOCC1
InChIInChI=1S/C12H16N2O4S/c1-8-10(19-7-13-8)11(17)14-12(6-9(15)16)2-4-18-5-3-12/h7H,2-6H2,1H3,(H,14,17)(H,15,16)
InChIKeyLINQAIVXWUVYKQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.21
Rot. Bonds4

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

2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 119215709) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID119215709
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCc1ncsc1C(=O)NC1(CC(=O)O)CCOCC1
InChIInChI=1S/C12H16N2O4S/c1-8-10(19-7-13-8)11(17)14-12(6-9(15)16)2-4-18-5-3-12/h7H,2-6H2,1H3,(H,14,17)(H,15,16)
InChIKeyLINQAIVXWUVYKQ-UHFFFAOYSA-N
XLogP1.21
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(bromomethyl)oxan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 106304691
2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214688
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 120521387
2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214814
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 99578340
2-[4-[(5-bromo-3-methylfuran-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214818
4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide
CID 122276409
2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521521
2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215163
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215386

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid (CID 119215709) is 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid is Cc1ncsc1C(=O)NC1(CC(=O)O)CCOCC1.
What is the InChIKey of 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is LINQAIVXWUVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-10(19-7-13-8)11(17)14-12(6-9(15)16)2-4-18-5-3-12/h7H,2-6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 284.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).