N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide

C11H16N2O2S — CID 75417636

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCc1csc(CCNC(=O)C2CCOC2)n1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-10(13-8)2-4-12-11(14)9-3-5-15-6-9/h7,9H,2-6H2,1H3,(H,12,14)
InChIKeyKXRYUTAGUKXAFS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 75417636) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID75417636
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCc1csc(CCNC(=O)C2CCOC2)n1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-10(13-8)2-4-12-11(14)9-3-5-15-6-9/h7,9H,2-6H2,1H3,(H,12,14)
InChIKeyKXRYUTAGUKXAFS-UHFFFAOYSA-N
XLogP1.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (CID 75417636) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is Cc1csc(CCNC(=O)C2CCOC2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is KXRYUTAGUKXAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-7-16-10(13-8)2-4-12-11(14)9-3-5-15-6-9/h7,9H,2-6H2,1H3,(H,12,14).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 75417636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).