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

C11H16N2O2S2 — CID 56741372

IUPACN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide
SMILESCSCc1nc(CNC(=O)C2CCOC2)cs1
InChIInChI=1S/C11H16N2O2S2/c1-16-7-10-13-9(6-17-10)4-12-11(14)8-2-3-15-5-8/h6,8H,2-5,7H2,1H3,(H,12,14)
InChIKeyHXXGMSADLYPLJZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.66
Rot. Bonds5

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

N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 56741372) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide
PubChem CID56741372
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC NameN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide
SMILESCSCc1nc(CNC(=O)C2CCOC2)cs1
InChIInChI=1S/C11H16N2O2S2/c1-16-7-10-13-9(6-17-10)4-12-11(14)8-2-3-15-5-8/h6,8H,2-5,7H2,1H3,(H,12,14)
InChIKeyHXXGMSADLYPLJZ-UHFFFAOYSA-N
XLogP1.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide (CID 56741372) is N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide is CSCc1nc(CNC(=O)C2CCOC2)cs1.
What is the InChIKey of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is HXXGMSADLYPLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-16-7-10-13-9(6-17-10)4-12-11(14)8-2-3-15-5-8/h6,8H,2-5,7H2,1H3,(H,12,14).
What are the key properties of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide?
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 56741372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).