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

C12H19N5S — CID 43702870

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2nncn2C)c(C)s1
InChIInChI=1S/C12H19N5S/c1-7(11-9(3)18-10(4)15-11)14-8(2)12-16-13-6-17(12)5/h6-8,14H,1-5H3
InChIKeyJOIKIWWUEMXIRF-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.30
Rot. Bonds4

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

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 43702870) 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-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID43702870
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2nncn2C)c(C)s1
InChIInChI=1S/C12H19N5S/c1-7(11-9(3)18-10(4)15-11)14-8(2)12-16-13-6-17(12)5/h6-8,14H,1-5H3
InChIKeyJOIKIWWUEMXIRF-UHFFFAOYSA-N
XLogP2.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.30
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-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 43702870) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-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-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is Cc1nc(C(C)NC(C)c2nncn2C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is JOIKIWWUEMXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-7(11-9(3)18-10(4)15-11)14-8(2)12-16-13-6-17(12)5/h6-8,14H,1-5H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 265.39 g/mol, XLogP of 2.30, 4 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-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43702870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).