6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile

C14H11N5S2 — CID 121476832

IUPAC6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C#N)cn3)n2)s1
InChIInChI=1S/C14H11N5S2/c1-8-13(21-9(2)17-8)11-7-20-14(18-11)19-12-4-3-10(5-15)6-16-12/h3-4,6-7H,1-2H3,(H,16,18,19)
InChIKeyBZYGREWTVBNHQB-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.89
Rot. Bonds3

About 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile

6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 121476832) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile
PubChem CID121476832
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC Name6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C#N)cn3)n2)s1
InChIInChI=1S/C14H11N5S2/c1-8-13(21-9(2)17-8)11-7-20-14(18-11)19-12-4-3-10(5-15)6-16-12/h3-4,6-7H,1-2H3,(H,16,18,19)
InChIKeyBZYGREWTVBNHQB-UHFFFAOYSA-N
XLogP3.89
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile (CID 121476832) is 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile is Cc1nc(C)c(-c2csc(Nc3ccc(C#N)cn3)n2)s1.
What is the InChIKey of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is BZYGREWTVBNHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c1-8-13(21-9(2)17-8)11-7-20-14(18-11)19-12-4-3-10(5-15)6-16-12/h3-4,6-7H,1-2H3,(H,16,18,19).
What are the key properties of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile?
6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 313.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 121476832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).