2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide

C16H14ClN5OS2 — CID 8562149

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C16H14ClN5OS2/c1-2-22(8-12-3-4-13(17)25-12)14(23)9-24-16-11(7-19)5-10(6-18)15(20)21-16/h3-5H,2,8-9H2,1H3,(H2,20,21)
InChIKeyPTNKOXUDNMDRJA-UHFFFAOYSA-N
MW391.91 g/mol
LogP3.26
Rot. Bonds6

About 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide (PubChem CID 8562149) has the molecular formula C16H14ClN5OS2 and a molecular weight of 391.91 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
PubChem CID8562149
Molecular FormulaC16H14ClN5OS2
Molecular Weight391.91 g/mol
Exact Mass391.03
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C16H14ClN5OS2/c1-2-22(8-12-3-4-13(17)25-12)14(23)9-24-16-11(7-19)5-10(6-18)15(20)21-16/h3-5H,2,8-9H2,1H3,(H2,20,21)
InChIKeyPTNKOXUDNMDRJA-UHFFFAOYSA-N
XLogP3.26
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide (CID 8562149) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The InChIKey is PTNKOXUDNMDRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS2/c1-2-22(8-12-3-4-13(17)25-12)14(23)9-24-16-11(7-19)5-10(6-18)15(20)21-16/h3-5H,2,8-9H2,1H3,(H2,20,21).
What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide has a molecular weight of 391.91 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 8562149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).