2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide

C11H14N4OS2 — CID 86797134

IUPAC2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCc1ccsc1-c1nsc(NC(=O)CN(C)C)n1
InChIInChI=1S/C11H14N4OS2/c1-7-4-5-17-9(7)10-13-11(18-14-10)12-8(16)6-15(2)3/h4-5H,6H2,1-3H3,(H,12,13,14,16)
InChIKeyKJYXTVXYEKEHNE-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.08
Rot. Bonds4

About 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide

2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 86797134) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID86797134
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCc1ccsc1-c1nsc(NC(=O)CN(C)C)n1
InChIInChI=1S/C11H14N4OS2/c1-7-4-5-17-9(7)10-13-11(18-14-10)12-8(16)6-15(2)3/h4-5H,6H2,1-3H3,(H,12,13,14,16)
InChIKeyKJYXTVXYEKEHNE-UHFFFAOYSA-N
XLogP2.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide (CID 86797134) is 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide is Cc1ccsc1-c1nsc(NC(=O)CN(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is KJYXTVXYEKEHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-7-4-5-17-9(7)10-13-11(18-14-10)12-8(16)6-15(2)3/h4-5H,6H2,1-3H3,(H,12,13,14,16).
What are the key properties of 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 86797134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).