4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine

C8H11N5S — CID 131020952

IUPAC4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCCn2cnnc2)n1
InChIInChI=1S/C8H11N5S/c1-7-4-14-8(12-7)9-2-3-13-5-10-11-6-13/h4-6H,2-3H2,1H3,(H,9,12)
InChIKeyLPMNGNJBLQXWLV-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.16
Rot. Bonds4

About 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine

4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 131020952) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID131020952
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCCn2cnnc2)n1
InChIInChI=1S/C8H11N5S/c1-7-4-14-8(12-7)9-2-3-13-5-10-11-6-13/h4-6H,2-3H2,1H3,(H,9,12)
InChIKeyLPMNGNJBLQXWLV-UHFFFAOYSA-N
XLogP1.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine (CID 131020952) is 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine is Cc1csc(NCCn2cnnc2)n1.
What is the InChIKey of 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is LPMNGNJBLQXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-7-4-14-8(12-7)9-2-3-13-5-10-11-6-13/h4-6H,2-3H2,1H3,(H,9,12).
What are the key properties of 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine?
4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 209.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131020952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).