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

C14H20N2O4S — CID 119215163

IUPAC2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)c1nc(C(=O)NC2(CC(=O)O)CCOCC2)cs1
InChIInChI=1S/C14H20N2O4S/c1-9(2)13-15-10(8-21-13)12(19)16-14(7-11(17)18)3-5-20-6-4-14/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWVJQWIRODLHONA-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.02
Rot. Bonds5

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

2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 119215163) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID119215163
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)c1nc(C(=O)NC2(CC(=O)O)CCOCC2)cs1
InChIInChI=1S/C14H20N2O4S/c1-9(2)13-15-10(8-21-13)12(19)16-14(7-11(17)18)3-5-20-6-4-14/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWVJQWIRODLHONA-UHFFFAOYSA-N
XLogP2.02
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid (CID 119215163) is 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid is CC(C)c1nc(C(=O)NC2(CC(=O)O)CCOCC2)cs1.
What is the InChIKey of 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is WVJQWIRODLHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9(2)13-15-10(8-21-13)12(19)16-14(7-11(17)18)3-5-20-6-4-14/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).