1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C12H19N5S — CID 80681080

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCCc2ncn(C)n2)c(C)s1
InChIInChI=1S/C12H19N5S/c1-8(12-9(2)18-10(3)15-12)13-6-5-11-14-7-17(4)16-11/h7-8,13H,5-6H2,1-4H3
InChIKeyUDBLNYHSYKKBBR-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.78
Rot. Bonds5

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 80681080) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID80681080
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCCc2ncn(C)n2)c(C)s1
InChIInChI=1S/C12H19N5S/c1-8(12-9(2)18-10(3)15-12)13-6-5-11-14-7-17(4)16-11/h7-8,13H,5-6H2,1-4H3
InChIKeyUDBLNYHSYKKBBR-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 80681080) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is Cc1nc(C(C)NCCc2ncn(C)n2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is UDBLNYHSYKKBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-8(12-9(2)18-10(3)15-12)13-6-5-11-14-7-17(4)16-11/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 265.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 80681080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).