4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine

C11H8N4S2 — CID 80886924

IUPAC4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nccc(Sc2nc3ccccc3s2)n1
InChIInChI=1S/C11H8N4S2/c12-10-13-6-5-9(15-10)17-11-14-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,13,15)
InChIKeyNUWSTUZIKCYIIE-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.82
Rot. Bonds2

About 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine

4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 80886924) has the molecular formula C11H8N4S2 and a molecular weight of 260.35 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID80886924
Molecular FormulaC11H8N4S2
Molecular Weight260.35 g/mol
Exact Mass260.02
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nccc(Sc2nc3ccccc3s2)n1
InChIInChI=1S/C11H8N4S2/c12-10-13-6-5-9(15-10)17-11-14-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,13,15)
InChIKeyNUWSTUZIKCYIIE-UHFFFAOYSA-N
XLogP2.82
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylsulfanylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 11837199
4-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80886922
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine
CID 80924678
2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 78843311
2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
CID 80651110
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977
4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dichloroaniline
CID 106891279
6-(1,3-benzothiazol-2-ylsulfanyl)-7H-purin-2-amine
CID 114788221
2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine
CID 79260065
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 114870822

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine (CID 80886924) is 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine is Nc1nccc(Sc2nc3ccccc3s2)n1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is NUWSTUZIKCYIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S2/c12-10-13-6-5-9(15-10)17-11-14-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,13,15).
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine?
4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 260.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80886924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).