3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide

C17H20N2O2S — CID 110372204

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3CCCO3)c2)sc1C
InChIInChI=1S/C17H20N2O2S/c1-11-12(2)22-17(19-11)14-6-3-5-13(9-14)16(20)18-10-15-7-4-8-21-15/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyJCKWILJYSCCXES-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.34
Rot. Bonds4

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 110372204) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID110372204
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3CCCO3)c2)sc1C
InChIInChI=1S/C17H20N2O2S/c1-11-12(2)22-17(19-11)14-6-3-5-13(9-14)16(20)18-10-15-7-4-8-21-15/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyJCKWILJYSCCXES-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 125156213
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110342355
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 122567374
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 110372204) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide is Cc1nc(-c2cccc(C(=O)NCC3CCCO3)c2)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JCKWILJYSCCXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-12(2)22-17(19-11)14-6-3-5-13(9-14)16(20)18-10-15-7-4-8-21-15/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 316.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 110372204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).