N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide

C12H18N2O2S — CID 56739023

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)C1CCOC1
InChIInChI=1S/C12H18N2O2S/c1-9-11(17-8-13-9)3-5-14(2)12(15)10-4-6-16-7-10/h8,10H,3-7H2,1-2H3
InChIKeyYQRASYCCZUJUKB-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.49
Rot. Bonds4

About N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide (PubChem CID 56739023) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide
PubChem CID56739023
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)C1CCOC1
InChIInChI=1S/C12H18N2O2S/c1-9-11(17-8-13-9)3-5-14(2)12(15)10-4-6-16-7-10/h8,10H,3-7H2,1-2H3
InChIKeyYQRASYCCZUJUKB-UHFFFAOYSA-N
XLogP1.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide (CID 56739023) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide is Cc1ncsc1CCN(C)C(=O)C1CCOC1.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is YQRASYCCZUJUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-11(17-8-13-9)3-5-14(2)12(15)10-4-6-16-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 56739023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).