6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine

C15H14N4S2 — CID 80991079

IUPAC6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Sc1nc2ccccc2s1
InChIInChI=1S/C15H14N4S2/c1-8-12(16)18-13(9-6-7-9)19-14(8)21-15-17-10-4-2-3-5-11(10)20-15/h2-5,9H,6-7H2,1H3,(H2,16,18,19)
InChIKeyINBKNYPQWUNZRQ-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.01
Rot. Bonds3

About 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine

6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80991079) has the molecular formula C15H14N4S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80991079
Molecular FormulaC15H14N4S2
Molecular Weight314.44 g/mol
Exact Mass314.07
IUPAC Name6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Sc1nc2ccccc2s1
InChIInChI=1S/C15H14N4S2/c1-8-12(16)18-13(9-6-7-9)19-14(8)21-15-17-10-4-2-3-5-11(10)20-15/h2-5,9H,6-7H2,1H3,(H2,16,18,19)
InChIKeyINBKNYPQWUNZRQ-UHFFFAOYSA-N
XLogP4.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977
2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine
CID 115321329
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80990216
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
2-cyclopropyl-6-ethylsulfanyl-5-methylpyrimidin-4-amine
CID 80991192
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
2-(3,7-dimethylquinolin-2-yl)sulfanyl-1,3-benzothiazole
CID 2313642
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine
CID 58893108
1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189263
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
[4-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80925852

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80991079) is 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1Sc1nc2ccccc2s1.
What is the InChIKey of 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is INBKNYPQWUNZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S2/c1-8-12(16)18-13(9-6-7-9)19-14(8)21-15-17-10-4-2-3-5-11(10)20-15/h2-5,9H,6-7H2,1H3,(H2,16,18,19).
What are the key properties of 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 314.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80991079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).