2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide

C13H20N2O2S2 — CID 86265237

IUPAC2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCSC2CCOCC2)s1
InChIInChI=1S/C13H20N2O2S2/c1-9-12(19-10(2)15-9)13(16)14-5-8-18-11-3-6-17-7-4-11/h11H,3-8H2,1-2H3,(H,14,16)
InChIKeyFFKRLFMPOVKIQE-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.40
Rot. Bonds5

About 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 86265237) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID86265237
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCSC2CCOCC2)s1
InChIInChI=1S/C13H20N2O2S2/c1-9-12(19-10(2)15-9)13(16)14-5-8-18-11-3-6-17-7-4-11/h11H,3-8H2,1-2H3,(H,14,16)
InChIKeyFFKRLFMPOVKIQE-UHFFFAOYSA-N
XLogP2.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide (CID 86265237) is 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCSC2CCOCC2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FFKRLFMPOVKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-9-12(19-10(2)15-9)13(16)14-5-8-18-11-3-6-17-7-4-11/h11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86265237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).