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

C10H15N5S — CID 115879238

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NC(C)c1nncn1C)c1cscn1
InChIInChI=1S/C10H15N5S/c1-7(9-4-16-6-11-9)13-8(2)10-14-12-5-15(10)3/h4-8,13H,1-3H3
InChIKeyFDOCZBLOLBFCKH-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.68
Rot. Bonds4

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115879238) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115879238
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NC(C)c1nncn1C)c1cscn1
InChIInChI=1S/C10H15N5S/c1-7(9-4-16-6-11-9)13-8(2)10-14-12-5-15(10)3/h4-8,13H,1-3H3
InChIKeyFDOCZBLOLBFCKH-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091749
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
1-(3-methylthiophen-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63992848
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43703199
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977
1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703252

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 115879238) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(NC(C)c1nncn1C)c1cscn1.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is FDOCZBLOLBFCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7(9-4-16-6-11-9)13-8(2)10-14-12-5-15(10)3/h4-8,13H,1-3H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 237.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115879238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).