6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine

C12H11N5S — CID 155910091

IUPAC6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
SMILESCc1nc2cc(-c3cc(N)nc(N)n3)ccc2s1
InChIInChI=1S/C12H11N5S/c1-6-15-9-4-7(2-3-10(9)18-6)8-5-11(13)17-12(14)16-8/h2-5H,1H3,(H4,13,14,16,17)
InChIKeyRJIWXDSEFZLOJC-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.23
Rot. Bonds1

About 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine

6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 155910091) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
PubChem CID155910091
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
SMILESCc1nc2cc(-c3cc(N)nc(N)n3)ccc2s1
InChIInChI=1S/C12H11N5S/c1-6-15-9-4-7(2-3-10(9)18-6)8-5-11(13)17-12(14)16-8/h2-5H,1H3,(H4,13,14,16,17)
InChIKeyRJIWXDSEFZLOJC-UHFFFAOYSA-N
XLogP2.23
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
CID 155914940
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
CID 106878479
2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
CID 155912615
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
CID 155495690

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine (CID 155910091) is 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine is Cc1nc2cc(-c3cc(N)nc(N)n3)ccc2s1.
What is the InChIKey of 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is RJIWXDSEFZLOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-6-15-9-4-7(2-3-10(9)18-6)8-5-11(13)17-12(14)16-8/h2-5H,1H3,(H4,13,14,16,17).
What are the key properties of 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine?
6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 257.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155910091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).