6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile

C14H10N4S — CID 47150241

IUPAC6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
SMILESCc1nc2ccc(Nc3ccc(C#N)cn3)cc2s1
InChIInChI=1S/C14H10N4S/c1-9-17-12-4-3-11(6-13(12)19-9)18-14-5-2-10(7-15)8-16-14/h2-6,8H,1H3,(H,16,18)
InChIKeyQFUZHNPTVFCIJS-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.62
Rot. Bonds2

About 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile

6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile (PubChem CID 47150241) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
PubChem CID47150241
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
SMILESCc1nc2ccc(Nc3ccc(C#N)cn3)cc2s1
InChIInChI=1S/C14H10N4S/c1-9-17-12-4-3-11(6-13(12)19-9)18-14-5-2-10(7-15)8-16-14/h2-6,8H,1H3,(H,16,18)
InChIKeyQFUZHNPTVFCIJS-UHFFFAOYSA-N
XLogP3.62
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 90997586
6-(quinolin-6-ylamino)pyridine-3-carbonitrile
CID 62634612
6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile
CID 18276652
5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile
CID 133484499
6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
CID 55119031
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
CID 86621532
4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine
CID 157019241
6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile
CID 18156172
3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]benzonitrile
CID 43450566
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 36574929

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile (CID 47150241) is 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile is Cc1nc2ccc(Nc3ccc(C#N)cn3)cc2s1.
What is the InChIKey of 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile?
The InChIKey is QFUZHNPTVFCIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-9-17-12-4-3-11(6-13(12)19-9)18-14-5-2-10(7-15)8-16-14/h2-6,8H,1H3,(H,16,18).
What are the key properties of 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile?
6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 47150241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).