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

C11H17N5S — CID 43783932

IUPAC1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1ncsc1C(C)NC(C)c1nncn1C
InChIInChI=1S/C11H17N5S/c1-7-10(17-6-12-7)8(2)14-9(3)11-15-13-5-16(11)4/h5-6,8-9,14H,1-4H3
InChIKeyCEJSPBNKGPXNET-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.99
Rot. Bonds4

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

1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 43783932) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID43783932
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1ncsc1C(C)NC(C)c1nncn1C
InChIInChI=1S/C11H17N5S/c1-7-10(17-6-12-7)8(2)14-9(3)11-15-13-5-16(11)4/h5-6,8-9,14H,1-4H3
InChIKeyCEJSPBNKGPXNET-UHFFFAOYSA-N
XLogP1.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 43783932) is 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is Cc1ncsc1C(C)NC(C)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is CEJSPBNKGPXNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7-10(17-6-12-7)8(2)14-9(3)11-15-13-5-16(11)4/h5-6,8-9,14H,1-4H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 251.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43783932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).