2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile

C15H16N4S — CID 81060181

IUPAC2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2nc3c(s2)CCCC3)c(C#N)c(C)n1
InChIInChI=1S/C15H16N4S/c1-9-7-13(11(8-16)10(2)17-9)19-15-18-12-5-3-4-6-14(12)20-15/h7H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyTUCNELIIHHIPHS-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.65
Rot. Bonds2

About 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile

2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile (PubChem CID 81060181) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile
PubChem CID81060181
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2nc3c(s2)CCCC3)c(C#N)c(C)n1
InChIInChI=1S/C15H16N4S/c1-9-7-13(11(8-16)10(2)17-9)19-15-18-12-5-3-4-6-14(12)20-15/h7H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyTUCNELIIHHIPHS-UHFFFAOYSA-N
XLogP3.65
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile (CID 81060181) is 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile is Cc1cc(Nc2nc3c(s2)CCCC3)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is TUCNELIIHHIPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9-7-13(11(8-16)10(2)17-9)19-15-18-12-5-3-4-6-14(12)20-15/h7H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile?
2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 284.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 81060181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).