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

C9H13N5S — CID 63330580

IUPAC4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCCc2nncn2C)n1
InChIInChI=1S/C9H13N5S/c1-7-5-15-9(12-7)10-4-3-8-13-11-6-14(8)2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyCSLKDWCITKNMTF-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.23
Rot. Bonds4

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

4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 63330580) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID63330580
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCCc2nncn2C)n1
InChIInChI=1S/C9H13N5S/c1-7-5-15-9(12-7)10-4-3-8-13-11-6-14(8)2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyCSLKDWCITKNMTF-UHFFFAOYSA-N
XLogP1.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.23
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-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine (CID 63330580) is 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine is Cc1csc(NCCc2nncn2C)n1.
What is the InChIKey of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CSLKDWCITKNMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-7-5-15-9(12-7)10-4-3-8-13-11-6-14(8)2/h5-6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine?
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 223.31 g/mol, XLogP of 1.23, 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-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63330580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).