2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile

C15H12N4S2 — CID 56755055

IUPAC2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile
SMILESCc1nc(C)c(-c2cc(-c3ccsc3)nc(N)c2C#N)s1
InChIInChI=1S/C15H12N4S2/c1-8-14(21-9(2)18-8)11-5-13(10-3-4-20-7-10)19-15(17)12(11)6-16/h3-5,7H,1-2H3,(H2,17,19)
InChIKeyHVWASGYFEIGVKZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.00
Rot. Bonds2

About 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile

2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile (PubChem CID 56755055) has the molecular formula C15H12N4S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile
PubChem CID56755055
Molecular FormulaC15H12N4S2
Molecular Weight312.42 g/mol
Exact Mass312.05
IUPAC Name2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile
SMILESCc1nc(C)c(-c2cc(-c3ccsc3)nc(N)c2C#N)s1
InChIInChI=1S/C15H12N4S2/c1-8-14(21-9(2)18-8)11-5-13(10-3-4-20-7-10)19-15(17)12(11)6-16/h3-5,7H,1-2H3,(H2,17,19)
InChIKeyHVWASGYFEIGVKZ-UHFFFAOYSA-N
XLogP4.00
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile (CID 56755055) is 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile is Cc1nc(C)c(-c2cc(-c3ccsc3)nc(N)c2C#N)s1.
What is the InChIKey of 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The InChIKey is HVWASGYFEIGVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S2/c1-8-14(21-9(2)18-8)11-5-13(10-3-4-20-7-10)19-15(17)12(11)6-16/h3-5,7H,1-2H3,(H2,17,19).
What are the key properties of 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile?
2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile has a molecular weight of 312.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 56755055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).