6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C11H10N6S — CID 155811809

IUPAC6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2nc3ccccc3s2)n1
InChIInChI=1S/C11H10N6S/c12-10-15-8(16-11(13)17-10)5-9-14-6-3-1-2-4-7(6)18-9/h1-4H,5H2,(H4,12,13,15,16,17)
InChIKeySWKMWWIXVJXWTP-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.24
Rot. Bonds2

About 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 155811809) has the molecular formula C11H10N6S and a molecular weight of 258.31 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID155811809
Molecular FormulaC11H10N6S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2nc3ccccc3s2)n1
InChIInChI=1S/C11H10N6S/c12-10-15-8(16-11(13)17-10)5-9-14-6-3-1-2-4-7(6)18-9/h1-4H,5H2,(H4,12,13,15,16,17)
InChIKeySWKMWWIXVJXWTP-UHFFFAOYSA-N
XLogP1.24
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 62534023
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2-ethyl-1,3-benzothiazole
CID 123878265
3-(1,3-benzothiazol-2-ylmethyl)-5-methylaniline
CID 107579603
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine
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CID 173263701
CID 173263701
2-(thiophen-3-ylmethyl)-1,3-benzothiazole
CID 102192956
4-(1,3-benzothiazol-2-ylmethyl)-2-ethylaniline
CID 81287573
1,3-benzothiazol-2-ylmethanesulfonamide
CID 79818870
1,3-benzothiazol-2-ylmethylsulfanylmethanethiol
CID 152704956
2-prop-2-ynyl-1,3-benzothiazole
CID 79818504

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 155811809) is 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Cc2nc3ccccc3s2)n1.
What is the InChIKey of 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SWKMWWIXVJXWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S/c12-10-15-8(16-11(13)17-10)5-9-14-6-3-1-2-4-7(6)18-9/h1-4H,5H2,(H4,12,13,15,16,17).
What are the key properties of 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 258.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155811809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).