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

C8H11N5S — CID 64557899

IUPACN-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(-n2cnnc2)n1
InChIInChI=1S/C8H11N5S/c1-6(9-2)7-3-14-8(12-7)13-4-10-11-5-13/h3-6,9H,1-2H3
InChIKeyDJTAHJKNZFZSBW-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.00
Rot. Bonds3

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

N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64557899) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64557899
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(-n2cnnc2)n1
InChIInChI=1S/C8H11N5S/c1-6(9-2)7-3-14-8(12-7)13-4-10-11-5-13/h3-6,9H,1-2H3
InChIKeyDJTAHJKNZFZSBW-UHFFFAOYSA-N
XLogP1.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine (CID 64557899) is N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine is CNC(C)c1csc(-n2cnnc2)n1.
What is the InChIKey of N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is DJTAHJKNZFZSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-6(9-2)7-3-14-8(12-7)13-4-10-11-5-13/h3-6,9H,1-2H3.
What are the key properties of N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 209.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2,4-triazol-4-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64557899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).