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

C11H7ClN4S2 — CID 114049977

IUPAC6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
SMILESNc1ncnc(Sc2nc3ccccc3s2)c1Cl
InChIInChI=1S/C11H7ClN4S2/c12-8-9(13)14-5-15-10(8)18-11-16-6-3-1-2-4-7(6)17-11/h1-5H,(H2,13,14,15)
InChIKeyWTPMADPCWJWKJU-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.47
Rot. Bonds2

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

6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine (PubChem CID 114049977) has the molecular formula C11H7ClN4S2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
PubChem CID114049977
Molecular FormulaC11H7ClN4S2
Molecular Weight294.79 g/mol
Exact Mass293.98
IUPAC Name6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
SMILESNc1ncnc(Sc2nc3ccccc3s2)c1Cl
InChIInChI=1S/C11H7ClN4S2/c12-8-9(13)14-5-15-10(8)18-11-16-6-3-1-2-4-7(6)17-11/h1-5H,(H2,13,14,15)
InChIKeyWTPMADPCWJWKJU-UHFFFAOYSA-N
XLogP3.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dichloroaniline
CID 106891279
2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 22693192
6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80991079
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 83156623
2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 110435768
4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886924
[4-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80925852
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
6-(1,3-benzothiazol-2-ylsulfanyl)-7H-purin-2-amine
CID 114788221
2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 78843311
2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine
CID 115321329

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine (CID 114049977) is 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine is Nc1ncnc(Sc2nc3ccccc3s2)c1Cl.
What is the InChIKey of 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine?
The InChIKey is WTPMADPCWJWKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S2/c12-8-9(13)14-5-15-10(8)18-11-16-6-3-1-2-4-7(6)17-11/h1-5H,(H2,13,14,15).
What are the key properties of 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine?
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine has a molecular weight of 294.79 g/mol, XLogP of 3.47, 2 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)-5-chloropyrimidin-4-amine is sourced from PubChem (CID 114049977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).