N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine

C13H21N5S — CID 114687571

IUPACN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1nc(C)cs1)NCC
InChIInChI=1S/C13H21N5S/c1-4-6-18-12(8-15-17-18)11(14-5-2)7-13-16-10(3)9-19-13/h8-9,11,14H,4-7H2,1-3H3
InChIKeyKCFQFKQFZLRTOU-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.35
Rot. Bonds7

About N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine

N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687571) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687571
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1nc(C)cs1)NCC
InChIInChI=1S/C13H21N5S/c1-4-6-18-12(8-15-17-18)11(14-5-2)7-13-16-10(3)9-19-13/h8-9,11,14H,4-7H2,1-3H3
InChIKeyKCFQFKQFZLRTOU-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686403
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102812689
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 81153300
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
1-(2-chlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62794990
N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
CID 105038801
1-(2-chlorofuran-3-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106692760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine (CID 114687571) is N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(Cc1nc(C)cs1)NCC.
What is the InChIKey of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is KCFQFKQFZLRTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-4-6-18-12(8-15-17-18)11(14-5-2)7-13-16-10(3)9-19-13/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine?
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).