2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

C11H11N5OS3 — CID 3158334

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CSc2nnc(N)s2)c(C#N)c1C
InChIInChI=1S/C11H11N5OS3/c1-5-6(2)19-9(7(5)3-12)14-8(17)4-18-11-16-15-10(13)20-11/h4H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyBESDMUYVWIAYHV-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.40
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 3158334) has the molecular formula C11H11N5OS3 and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID3158334
Molecular FormulaC11H11N5OS3
Molecular Weight325.44 g/mol
Exact Mass325.01
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CSc2nnc(N)s2)c(C#N)c1C
InChIInChI=1S/C11H11N5OS3/c1-5-6(2)19-9(7(5)3-12)14-8(17)4-18-11-16-15-10(13)20-11/h4H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyBESDMUYVWIAYHV-UHFFFAOYSA-N
XLogP2.40
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
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-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 3158334) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CSc2nnc(N)s2)c(C#N)c1C.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is BESDMUYVWIAYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS3/c1-5-6(2)19-9(7(5)3-12)14-8(17)4-18-11-16-15-10(13)20-11/h4H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 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-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 3158334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).