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

C12H19N5S — CID 112744238

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)nc1C)c1ncnn1CC
InChIInChI=1S/C12H19N5S/c1-5-13-10(11-8(3)16-9(4)18-11)12-14-7-15-17(12)6-2/h7,10,13H,5-6H2,1-4H3
InChIKeyZHLNFSXODCGOHQ-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.07
Rot. Bonds5

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 112744238) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID112744238
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)nc1C)c1ncnn1CC
InChIInChI=1S/C12H19N5S/c1-5-13-10(11-8(3)16-9(4)18-11)12-14-7-15-17(12)6-2/h7,10,13H,5-6H2,1-4H3
InChIKeyZHLNFSXODCGOHQ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 112744238) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCNC(c1sc(C)nc1C)c1ncnn1CC.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is ZHLNFSXODCGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-5-13-10(11-8(3)16-9(4)18-11)12-14-7-15-17(12)6-2/h7,10,13H,5-6H2,1-4H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 265.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 112744238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).