N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine

C7H5Cl2N5S — CID 88588890

IUPACN-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(Cl)nc(Cl)n2)s1
InChIInChI=1S/C7H5Cl2N5S/c1-3-2-10-7(15-3)14-6-12-4(8)11-5(9)13-6/h2H,1H3,(H,10,11,12,13,14)
InChIKeyCDKOCDOIIZOERP-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.69
Rot. Bonds2

About N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine

N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 88588890) has the molecular formula C7H5Cl2N5S and a molecular weight of 262.12 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID88588890
Molecular FormulaC7H5Cl2N5S
Molecular Weight262.12 g/mol
Exact Mass260.96
IUPAC NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(Cl)nc(Cl)n2)s1
InChIInChI=1S/C7H5Cl2N5S/c1-3-2-10-7(15-3)14-6-12-4(8)11-5(9)13-6/h2H,1H3,(H,10,11,12,13,14)
InChIKeyCDKOCDOIIZOERP-UHFFFAOYSA-N
XLogP2.69
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine (CID 88588890) is N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine is Cc1cnc(Nc2nc(Cl)nc(Cl)n2)s1.
What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is CDKOCDOIIZOERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N5S/c1-3-2-10-7(15-3)14-6-12-4(8)11-5(9)13-6/h2H,1H3,(H,10,11,12,13,14).
What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine?
N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 262.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 88588890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).