2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine

C11H9ClN6S — CID 107802028

IUPAC2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C11H9ClN6S/c1-13-10-16-9(12)17-11(18-10)15-6-2-3-7-8(4-6)19-5-14-7/h2-5H,1H3,(H2,13,15,16,17,18)
InChIKeyCSGFPWRIPPOSJE-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.92
Rot. Bonds3

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

2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 107802028) has the molecular formula C11H9ClN6S and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID107802028
Molecular FormulaC11H9ClN6S
Molecular Weight292.76 g/mol
Exact Mass292.03
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C11H9ClN6S/c1-13-10-16-9(12)17-11(18-10)15-6-2-3-7-8(4-6)19-5-14-7/h2-5H,1H3,(H2,13,15,16,17,18)
InChIKeyCSGFPWRIPPOSJE-UHFFFAOYSA-N
XLogP2.92
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 107801949
4-N-(1,3-benzothiazol-6-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107802039
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
CID 107802808
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107801952
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 65453599
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
4-N-(1,3-benzothiazol-6-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801945
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 107802028) is 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2ccc3ncsc3c2)n1.
What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CSGFPWRIPPOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6S/c1-13-10-16-9(12)17-11(18-10)15-6-2-3-7-8(4-6)19-5-14-7/h2-5H,1H3,(H2,13,15,16,17,18).
What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.76 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107802028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).