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

C17H20N2O2S — CID 51081209

IUPACN-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCc1ccccc1Cc1cnc(NC(=O)C2CCOCC2)s1
InChIInChI=1S/C17H20N2O2S/c1-12-4-2-3-5-14(12)10-15-11-18-17(22-15)19-16(20)13-6-8-21-9-7-13/h2-5,11,13H,6-10H2,1H3,(H,18,19,20)
InChIKeyRGNAUBUVXFDREK-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.41
Rot. Bonds4

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

N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide (PubChem CID 51081209) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
PubChem CID51081209
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCc1ccccc1Cc1cnc(NC(=O)C2CCOCC2)s1
InChIInChI=1S/C17H20N2O2S/c1-12-4-2-3-5-14(12)10-15-11-18-17(22-15)19-16(20)13-6-8-21-9-7-13/h2-5,11,13H,6-10H2,1H3,(H,18,19,20)
InChIKeyRGNAUBUVXFDREK-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
2-methoxy-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 143018395
1-butanoyl-N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55871777
2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide
CID 51130187
3-methyl-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide
CID 3159005
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
cis-(1R,3S)-3-[[5-(oxan-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 154868477
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide (CID 51081209) is N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide is Cc1ccccc1Cc1cnc(NC(=O)C2CCOCC2)s1.
What is the InChIKey of N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide?
The InChIKey is RGNAUBUVXFDREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-4-2-3-5-14(12)10-15-11-18-17(22-15)19-16(20)13-6-8-21-9-7-13/h2-5,11,13H,6-10H2,1H3,(H,18,19,20).
What are the key properties of N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide?
N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 51081209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).