N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide

C13H20N2O2S — CID 42789391

IUPACN-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
SMILESCCCCN(Cc1nccs1)C(=O)C1CCCO1
InChIInChI=1S/C13H20N2O2S/c1-2-3-7-15(10-12-14-6-9-18-12)13(16)11-5-4-8-17-11/h6,9,11H,2-5,7-8,10H2,1H3
InChIKeyXUZXZCLZNPTWLN-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.45
Rot. Bonds6

About N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide

N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide (PubChem CID 42789391) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
PubChem CID42789391
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
SMILESCCCCN(Cc1nccs1)C(=O)C1CCCO1
InChIInChI=1S/C13H20N2O2S/c1-2-3-7-15(10-12-14-6-9-18-12)13(16)11-5-4-8-17-11/h6,9,11H,2-5,7-8,10H2,1H3
InChIKeyXUZXZCLZNPTWLN-UHFFFAOYSA-N
XLogP2.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide (CID 42789391) is N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide is CCCCN(Cc1nccs1)C(=O)C1CCCO1.
What is the InChIKey of N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The InChIKey is XUZXZCLZNPTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-3-7-15(10-12-14-6-9-18-12)13(16)11-5-4-8-17-11/h6,9,11H,2-5,7-8,10H2,1H3.
What are the key properties of N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 42789391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).