2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C14H19N3OS — CID 105107359

IUPAC2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1snnc1C(C)C
InChIInChI=1S/C14H19N3OS/c1-9(2)13-14(19-17-16-13)11(15)8-10-6-4-5-7-12(10)18-3/h4-7,9,11H,8,15H2,1-3H3
InChIKeyAWICCIGUKKWXNT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105107359) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105107359
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1snnc1C(C)C
InChIInChI=1S/C14H19N3OS/c1-9(2)13-14(19-17-16-13)11(15)8-10-6-4-5-7-12(10)18-3/h4-7,9,11H,8,15H2,1-3H3
InChIKeyAWICCIGUKKWXNT-UHFFFAOYSA-N
XLogP2.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105289507
2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105137302
2-(2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105107355
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105169681
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144931
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136160
2-(2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424370

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105107359) is 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is COc1ccccc1CC(N)c1snnc1C(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is AWICCIGUKKWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)13-14(19-17-16-13)11(15)8-10-6-4-5-7-12(10)18-3/h4-7,9,11H,8,15H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105107359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).