2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C16H14N6OS2 — CID 19057971

IUPAC2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2nc(N)c(C#N)c(C3CC3)c2C#N)s1
InChIInChI=1S/C16H14N6OS2/c1-8-6-20-16(25-8)21-12(23)7-24-15-11(5-18)13(9-2-3-9)10(4-17)14(19)22-15/h6,9H,2-3,7H2,1H3,(H2,19,22)(H,20,21,23)
InChIKeyZETWQOQNEQNBJY-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.78
Rot. Bonds5

About 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19057971) has the molecular formula C16H14N6OS2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID19057971
Molecular FormulaC16H14N6OS2
Molecular Weight370.46 g/mol
Exact Mass370.07
IUPAC Name2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2nc(N)c(C#N)c(C3CC3)c2C#N)s1
InChIInChI=1S/C16H14N6OS2/c1-8-6-20-16(25-8)21-12(23)7-24-15-11(5-18)13(9-2-3-9)10(4-17)14(19)22-15/h6,9H,2-3,7H2,1H3,(H2,19,22)(H,20,21,23)
InChIKeyZETWQOQNEQNBJY-UHFFFAOYSA-N
XLogP2.78
TPSA128.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 19057971) is 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CSc2nc(N)c(C#N)c(C3CC3)c2C#N)s1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZETWQOQNEQNBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS2/c1-8-6-20-16(25-8)21-12(23)7-24-15-11(5-18)13(9-2-3-9)10(4-17)14(19)22-15/h6,9H,2-3,7H2,1H3,(H2,19,22)(H,20,21,23).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 370.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19057971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).