4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C8H11N5S2 — CID 1280869

IUPAC4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1nnc(SCc2csc(N)n2)n1C
InChIInChI=1S/C8H11N5S2/c1-5-11-12-8(13(5)2)15-4-6-3-14-7(9)10-6/h3H,4H2,1-2H3,(H2,9,10)
InChIKeyWNYRCBZOOCTODR-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.45
Rot. Bonds3

About 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 1280869) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID1280869
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1nnc(SCc2csc(N)n2)n1C
InChIInChI=1S/C8H11N5S2/c1-5-11-12-8(13(5)2)15-4-6-3-14-7(9)10-6/h3H,4H2,1-2H3,(H2,9,10)
InChIKeyWNYRCBZOOCTODR-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 1280869) is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cc1nnc(SCc2csc(N)n2)n1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is WNYRCBZOOCTODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-5-11-12-8(13(5)2)15-4-6-3-14-7(9)10-6/h3H,4H2,1-2H3,(H2,9,10).
What are the key properties of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 241.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 1280869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).