N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide

C17H20N2O2S — CID 86849733

IUPACN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
SMILESCc1ccc(Cc2sc(NC(=O)C3CCOC3)nc2C)cc1
InChIInChI=1S/C17H20N2O2S/c1-11-3-5-13(6-4-11)9-15-12(2)18-17(22-15)19-16(20)14-7-8-21-10-14/h3-6,14H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyPZPXUAWAJSIKIW-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.33
Rot. Bonds4

About N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide (PubChem CID 86849733) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
PubChem CID86849733
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
SMILESCc1ccc(Cc2sc(NC(=O)C3CCOC3)nc2C)cc1
InChIInChI=1S/C17H20N2O2S/c1-11-3-5-13(6-4-11)9-15-12(2)18-17(22-15)19-16(20)14-7-8-21-10-14/h3-6,14H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyPZPXUAWAJSIKIW-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895685
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55896068
(2S,4R)-4-hydroxy-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 125153850
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43836600
N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 63945642
1-[(4-methoxyoxan-4-yl)methyl]-3-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]urea
CID 126790172
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122092678
1-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(oxepan-4-yl)urea
CID 128628590
(4S)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 97067107
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 43836758

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide (CID 86849733) is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide is Cc1ccc(Cc2sc(NC(=O)C3CCOC3)nc2C)cc1.
What is the InChIKey of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The InChIKey is PZPXUAWAJSIKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-3-5-13(6-4-11)9-15-12(2)18-17(22-15)19-16(20)14-7-8-21-10-14/h3-6,14H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide?
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 86849733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).