2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide

C16H18N2O2S — CID 53498207

IUPAC2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCOC1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C16H18N2O2S/c19-16(17-9-13-6-7-20-10-13)14-11-21-15(18-14)8-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,19)
InChIKeyWUTVNDYOSWJABL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.50
Rot. Bonds5

About 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 53498207) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID53498207
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCOC1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C16H18N2O2S/c19-16(17-9-13-6-7-20-10-13)14-11-21-15(18-14)8-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,19)
InChIKeyWUTVNDYOSWJABL-UHFFFAOYSA-N
XLogP2.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 53498207) is 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCC1CCOC1)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WUTVNDYOSWJABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(17-9-13-6-7-20-10-13)14-11-21-15(18-14)8-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,19).
What are the key properties of 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53498207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).