2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C12H10N4OS2 — CID 1233014

IUPAC2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C#N)c(SCC(=O)Nc2nccs2)n1
InChIInChI=1S/C12H10N4OS2/c1-8-2-3-9(6-13)11(15-8)19-7-10(17)16-12-14-4-5-18-12/h2-5H,7H2,1H3,(H,14,16,17)
InChIKeyYTTUOCXSEPPONX-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.45
Rot. Bonds4

About 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1233014) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1233014
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC Name2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C#N)c(SCC(=O)Nc2nccs2)n1
InChIInChI=1S/C12H10N4OS2/c1-8-2-3-9(6-13)11(15-8)19-7-10(17)16-12-14-4-5-18-12/h2-5H,7H2,1H3,(H,14,16,17)
InChIKeyYTTUOCXSEPPONX-UHFFFAOYSA-N
XLogP2.45
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 1233014) is 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(C#N)c(SCC(=O)Nc2nccs2)n1.
What is the InChIKey of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YTTUOCXSEPPONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c1-8-2-3-9(6-13)11(15-8)19-7-10(17)16-12-14-4-5-18-12/h2-5H,7H2,1H3,(H,14,16,17).
What are the key properties of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1233014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).