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

C10H15N5OS — CID 79392422

IUPAC4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nncn1CCOC
InChIInChI=1S/C10H15N5OS/c1-7-8(10(11-2)17-14-7)9-13-12-6-15(9)4-5-16-3/h6,11H,4-5H2,1-3H3
InChIKeyADUHUZAYBXIZOK-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.40
Rot. Bonds5

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

4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 79392422) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID79392422
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nncn1CCOC
InChIInChI=1S/C10H15N5OS/c1-7-8(10(11-2)17-14-7)9-13-12-6-15(9)4-5-16-3/h6,11H,4-5H2,1-3H3
InChIKeyADUHUZAYBXIZOK-UHFFFAOYSA-N
XLogP1.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine (CID 79392422) is 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nncn1CCOC.
What is the InChIKey of 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is ADUHUZAYBXIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-7-8(10(11-2)17-14-7)9-13-12-6-15(9)4-5-16-3/h6,11H,4-5H2,1-3H3.
What are the key properties of 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 253.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79392422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).