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

C14H18ClN3OS — CID 105137302

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1snnc1C(C)C
InChIInChI=1S/C14H18ClN3OS/c1-8(2)13-14(20-18-17-13)11(16)7-9-6-10(15)4-5-12(9)19-3/h4-6,8,11H,7,16H2,1-3H3
InChIKeyBWSCXWUIUCCZDO-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.57
Rot. Bonds5

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

2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105137302) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105137302
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1snnc1C(C)C
InChIInChI=1S/C14H18ClN3OS/c1-8(2)13-14(20-18-17-13)11(16)7-9-6-10(15)4-5-12(9)19-3/h4-6,8,11H,7,16H2,1-3H3
InChIKeyBWSCXWUIUCCZDO-UHFFFAOYSA-N
XLogP3.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105107359
2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105137300
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
2-(5-chloro-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105137374
2-(5-chloro-2-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105089389
2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
CID 102923378
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115845063
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105137302) is 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is COc1ccc(Cl)cc1CC(N)c1snnc1C(C)C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is BWSCXWUIUCCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-8(2)13-14(20-18-17-13)11(16)7-9-6-10(15)4-5-12(9)19-3/h4-6,8,11H,7,16H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 311.84 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105137302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).