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

C18H20N2O4S — CID 167803172

IUPAC2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid
SMILESCc1sc(-c2ccccc2)nc1C(=O)NC1CCOCC1CC(=O)O
InChIInChI=1S/C18H20N2O4S/c1-11-16(20-18(25-11)12-5-3-2-4-6-12)17(23)19-14-7-8-24-10-13(14)9-15(21)22/h2-6,13-14H,7-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyOGWHINCMKKFPHV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.73
Rot. Bonds5

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

2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid (PubChem CID 167803172) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid
PubChem CID167803172
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid
SMILESCc1sc(-c2ccccc2)nc1C(=O)NC1CCOCC1CC(=O)O
InChIInChI=1S/C18H20N2O4S/c1-11-16(20-18(25-11)12-5-3-2-4-6-12)17(23)19-14-7-8-24-10-13(14)9-15(21)22/h2-6,13-14H,7-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyOGWHINCMKKFPHV-UHFFFAOYSA-N
XLogP2.73
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid?
The IUPAC name of 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid (CID 167803172) is 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid is Cc1sc(-c2ccccc2)nc1C(=O)NC1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid?
The InChIKey is OGWHINCMKKFPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-11-16(20-18(25-11)12-5-3-2-4-6-12)17(23)19-14-7-8-24-10-13(14)9-15(21)22/h2-6,13-14H,7-10H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid?
2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid has a molecular weight of 360.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid is sourced from PubChem (CID 167803172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).