2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid

C11H14N2O4S — CID 62212778

IUPAC2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)C2CCCCO2)n1
InChIInChI=1S/C11H14N2O4S/c14-9(15)5-7-6-18-11(12-7)13-10(16)8-3-1-2-4-17-8/h6,8H,1-5H2,(H,14,15)(H,12,13,16)
InChIKeyUTNGNGOASCXCEN-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.28
Rot. Bonds4

About 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 62212778) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID62212778
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)C2CCCCO2)n1
InChIInChI=1S/C11H14N2O4S/c14-9(15)5-7-6-18-11(12-7)13-10(16)8-3-1-2-4-17-8/h6,8H,1-5H2,(H,14,15)(H,12,13,16)
InChIKeyUTNGNGOASCXCEN-UHFFFAOYSA-N
XLogP1.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
(2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 124737179
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
CID 110719509
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969
(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2971008
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
2-[2-[(2-cyanoacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 86062633
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 154753101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid (CID 62212778) is 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)C2CCCCO2)n1.
What is the InChIKey of 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is UTNGNGOASCXCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-9(15)5-7-6-18-11(12-7)13-10(16)8-3-1-2-4-17-8/h6,8H,1-5H2,(H,14,15)(H,12,13,16).
What are the key properties of 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 270.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 62212778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).