2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C14H14N4OS2 — CID 3511874

IUPAC2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2nccs2)c(C#N)c(C)c1C
InChIInChI=1S/C14H14N4OS2/c1-8-9(2)11(6-15)13(17-10(8)3)21-7-12(19)18-14-16-4-5-20-14/h4-5H,7H2,1-3H3,(H,16,18,19)
InChIKeyOZJAMKLDUIYGAB-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.07
Rot. Bonds4

About 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3511874) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3511874
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2nccs2)c(C#N)c(C)c1C
InChIInChI=1S/C14H14N4OS2/c1-8-9(2)11(6-15)13(17-10(8)3)21-7-12(19)18-14-16-4-5-20-14/h4-5H,7H2,1-3H3,(H,16,18,19)
InChIKeyOZJAMKLDUIYGAB-UHFFFAOYSA-N
XLogP3.07
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3511874) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nc(SCC(=O)Nc2nccs2)c(C#N)c(C)c1C.
What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OZJAMKLDUIYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-8-9(2)11(6-15)13(17-10(8)3)21-7-12(19)18-14-16-4-5-20-14/h4-5H,7H2,1-3H3,(H,16,18,19).
What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 318.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3511874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).