2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide

C11H18N4O2S2 — CID 86286131

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H18N4O2S2/c1-15(6-8-2-4-17-5-3-8)9(16)7-18-11-14-13-10(12)19-11/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyYDEUYCVDECMMPM-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.10
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide (PubChem CID 86286131) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
PubChem CID86286131
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H18N4O2S2/c1-15(6-8-2-4-17-5-3-8)9(16)7-18-11-14-13-10(12)19-11/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyYDEUYCVDECMMPM-UHFFFAOYSA-N
XLogP1.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide (CID 86286131) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide is CN(CC1CCOCC1)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is YDEUYCVDECMMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-15(6-8-2-4-17-5-3-8)9(16)7-18-11-14-13-10(12)19-11/h8H,2-7H2,1H3,(H2,12,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 302.43 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 86286131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).