2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide

C18H20N2O3S — CID 91822333

IUPAC2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide
SMILESCc1csc(-c2cccc(CNC(=O)C3CC(=O)OC3(C)C)c2)n1
InChIInChI=1S/C18H20N2O3S/c1-11-10-24-17(20-11)13-6-4-5-12(7-13)9-19-16(22)14-8-15(21)23-18(14,2)3/h4-7,10,14H,8-9H2,1-3H3,(H,19,22)
InChIKeyAOHGULURVJRDMG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.08
Rot. Bonds4

About 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide

2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide (PubChem CID 91822333) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide
PubChem CID91822333
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide
SMILESCc1csc(-c2cccc(CNC(=O)C3CC(=O)OC3(C)C)c2)n1
InChIInChI=1S/C18H20N2O3S/c1-11-10-24-17(20-11)13-6-4-5-12(7-13)9-19-16(22)14-8-15(21)23-18(14,2)3/h4-7,10,14H,8-9H2,1-3H3,(H,19,22)
InChIKeyAOHGULURVJRDMG-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide with MolForge

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Related Compounds

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1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
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(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide
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ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
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CID 126842029
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3-methyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 54773936
2-cyclohexyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide (CID 91822333) is 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide is Cc1csc(-c2cccc(CNC(=O)C3CC(=O)OC3(C)C)c2)n1.
What is the InChIKey of 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide?
The InChIKey is AOHGULURVJRDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-10-24-17(20-11)13-6-4-5-12(7-13)9-19-16(22)14-8-15(21)23-18(14,2)3/h4-7,10,14H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide?
2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 91822333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).