N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide

C16H18N2O3S — CID 4879505

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1csc(NC(=O)c2ccc(OCC3CCCO3)cc2)n1
InChIInChI=1S/C16H18N2O3S/c1-11-10-22-16(17-11)18-15(19)12-4-6-13(7-5-12)21-9-14-3-2-8-20-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,17,18,19)
InChIKeyWUFURICHIKLZPG-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.26
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide

N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 4879505) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID4879505
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1csc(NC(=O)c2ccc(OCC3CCCO3)cc2)n1
InChIInChI=1S/C16H18N2O3S/c1-11-10-22-16(17-11)18-15(19)12-4-6-13(7-5-12)21-9-14-3-2-8-20-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,17,18,19)
InChIKeyWUFURICHIKLZPG-UHFFFAOYSA-N
XLogP3.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide (CID 4879505) is N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide is Cc1csc(NC(=O)c2ccc(OCC3CCCO3)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is WUFURICHIKLZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-10-22-16(17-11)18-15(19)12-4-6-13(7-5-12)21-9-14-3-2-8-20-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 318.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 4879505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).