4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine

C7H7N5S2 — CID 71670302

IUPAC4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(SCc2nccs2)n1
InChIInChI=1S/C7H7N5S2/c8-6-10-4-11-7(12-6)14-3-5-9-1-2-13-5/h1-2,4H,3H2,(H2,8,10,11,12)
InChIKeyAKHFAAOBHMHWIU-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.20
Rot. Bonds3

About 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine

4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 71670302) has the molecular formula C7H7N5S2 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID71670302
Molecular FormulaC7H7N5S2
Molecular Weight225.30 g/mol
Exact Mass225.01
IUPAC Name4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(SCc2nccs2)n1
InChIInChI=1S/C7H7N5S2/c8-6-10-4-11-7(12-6)14-3-5-9-1-2-13-5/h1-2,4H,3H2,(H2,8,10,11,12)
InChIKeyAKHFAAOBHMHWIU-UHFFFAOYSA-N
XLogP1.20
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine (CID 71670302) is 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine is Nc1ncnc(SCc2nccs2)n1.
What is the InChIKey of 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is AKHFAAOBHMHWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S2/c8-6-10-4-11-7(12-6)14-3-5-9-1-2-13-5/h1-2,4H,3H2,(H2,8,10,11,12).
What are the key properties of 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 225.30 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 4-(1,3-thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71670302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).