6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile

C14H11N5S — CID 107543341

IUPAC6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1ccc2nc(Nc3nc(C)cc(C#N)n3)sc2c1
InChIInChI=1S/C14H11N5S/c1-8-3-4-11-12(5-8)20-14(18-11)19-13-16-9(2)6-10(7-15)17-13/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyBXUYWUDOZQJDCN-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.32
Rot. Bonds2

About 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile

6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543341) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107543341
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1ccc2nc(Nc3nc(C)cc(C#N)n3)sc2c1
InChIInChI=1S/C14H11N5S/c1-8-3-4-11-12(5-8)20-14(18-11)19-13-16-9(2)6-10(7-15)17-13/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyBXUYWUDOZQJDCN-UHFFFAOYSA-N
XLogP3.32
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107926862
N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108778357
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
4-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 63516010
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
4-[[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]benzonitrile
CID 79142596
1-N-(4,6-dimethylpyrimidin-2-yl)-4-N-(6-ethyl-1,3-benzothiazol-2-yl)benzene-1,4-diamine
CID 108777584
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide
CID 114767063
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 24584663

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile (CID 107543341) is 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile is Cc1ccc2nc(Nc3nc(C)cc(C#N)n3)sc2c1.
What is the InChIKey of 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is BXUYWUDOZQJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-8-3-4-11-12(5-8)20-14(18-11)19-13-16-9(2)6-10(7-15)17-13/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile?
6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).