6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine

C8H9ClN6S — CID 80814611

IUPAC6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1cscn1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C8H9ClN6S/c1-15(2-5-3-16-4-11-5)8-13-6(9)12-7(10)14-8/h3-4H,2H2,1H3,(H2,10,12,13,14)
InChIKeyVQRAAZUAUMYKIA-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.20
Rot. Bonds3

About 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80814611) has the molecular formula C8H9ClN6S and a molecular weight of 256.72 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80814611
Molecular FormulaC8H9ClN6S
Molecular Weight256.72 g/mol
Exact Mass256.03
IUPAC Name6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1cscn1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C8H9ClN6S/c1-15(2-5-3-16-4-11-5)8-13-6(9)12-7(10)14-8/h3-4H,2H2,1H3,(H2,10,12,13,14)
InChIKeyVQRAAZUAUMYKIA-UHFFFAOYSA-N
XLogP1.20
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62862931
6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781146
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80793890
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
CID 115001003
5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 104841516
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
CID 80814608
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 79555384
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80814611) is 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine is CN(Cc1cscn1)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VQRAAZUAUMYKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6S/c1-15(2-5-3-16-4-11-5)8-13-6(9)12-7(10)14-8/h3-4H,2H2,1H3,(H2,10,12,13,14).
What are the key properties of 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 256.72 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80814611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).