N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide

C15H16N2O2S — CID 75921279

IUPACN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)C2CCOC2)n1
InChIInChI=1S/C15H16N2O2S/c1-10-4-2-3-5-12(10)13-9-20-15(16-13)17-14(18)11-6-7-19-8-11/h2-5,9,11H,6-8H2,1H3,(H,16,17,18)
InChIKeyIKMFGHNHAVLLGP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.09
Rot. Bonds3

About N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide (PubChem CID 75921279) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
PubChem CID75921279
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)C2CCOC2)n1
InChIInChI=1S/C15H16N2O2S/c1-10-4-2-3-5-12(10)13-9-20-15(16-13)17-14(18)11-6-7-19-8-11/h2-5,9,11H,6-8H2,1H3,(H,16,17,18)
InChIKeyIKMFGHNHAVLLGP-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide (CID 75921279) is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide is Cc1ccccc1-c1csc(NC(=O)C2CCOC2)n1.
What is the InChIKey of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The InChIKey is IKMFGHNHAVLLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-4-2-3-5-12(10)13-9-20-15(16-13)17-14(18)11-6-7-19-8-11/h2-5,9,11H,6-8H2,1H3,(H,16,17,18).
What are the key properties of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide?
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 75921279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).