N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C14H22N2O2S2 — CID 91776923

IUPACN-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)C2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H22N2O2S2/c1-10-8-19-13(15-10)20-9-12(17)16(4)11-5-6-18-14(2,3)7-11/h8,11H,5-7,9H2,1-4H3
InChIKeyDCSUREYKHNKCHM-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.96
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 91776923) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID91776923
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)C2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H22N2O2S2/c1-10-8-19-13(15-10)20-9-12(17)16(4)11-5-6-18-14(2,3)7-11/h8,11H,5-7,9H2,1-4H3
InChIKeyDCSUREYKHNKCHM-UHFFFAOYSA-N
XLogP2.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 91776923) is N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)N(C)C2CCOC(C)(C)C2)n1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is DCSUREYKHNKCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-10-8-19-13(15-10)20-9-12(17)16(4)11-5-6-18-14(2,3)7-11/h8,11H,5-7,9H2,1-4H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 314.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 91776923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).