2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide

C10H16N4O3S2 — CID 86285170

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide
SMILESCN(CC1COCCO1)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H16N4O3S2/c1-14(4-7-5-16-2-3-17-7)8(15)6-18-10-13-12-9(11)19-10/h7H,2-6H2,1H3,(H2,11,12)
InChIKeyPDLCHEQAKHRJRE-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.09
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide (PubChem CID 86285170) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide
PubChem CID86285170
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide
SMILESCN(CC1COCCO1)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H16N4O3S2/c1-14(4-7-5-16-2-3-17-7)8(15)6-18-10-13-12-9(11)19-10/h7H,2-6H2,1H3,(H2,11,12)
InChIKeyPDLCHEQAKHRJRE-UHFFFAOYSA-N
XLogP0.09
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide (CID 86285170) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide is CN(CC1COCCO1)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide?
The InChIKey is PDLCHEQAKHRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-14(4-7-5-16-2-3-17-7)8(15)6-18-10-13-12-9(11)19-10/h7H,2-6H2,1H3,(H2,11,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide has a molecular weight of 304.40 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 86285170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).