2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C18H15N5OS2 — CID 1273744

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1
InChIInChI=1S/C18H15N5OS2/c1-11-8-12(2)20-17(14(11)9-19)25-10-15(24)21-18-23-22-16(26-18)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,21,23,24)
InChIKeyXHTXBXBMAWPDNT-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.82
Rot. Bonds5

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1273744) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1273744
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1
InChIInChI=1S/C18H15N5OS2/c1-11-8-12(2)20-17(14(11)9-19)25-10-15(24)21-18-23-22-16(26-18)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,21,23,24)
InChIKeyXHTXBXBMAWPDNT-UHFFFAOYSA-N
XLogP3.82
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1273744) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XHTXBXBMAWPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c1-11-8-12(2)20-17(14(11)9-19)25-10-15(24)21-18-23-22-16(26-18)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,21,23,24).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 381.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1273744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).