2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine

C11H12ClN3OS — CID 105137300

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1csnn1
InChIInChI=1S/C11H12ClN3OS/c1-16-11-3-2-8(12)4-7(11)5-9(13)10-6-17-15-14-10/h2-4,6,9H,5,13H2,1H3
InChIKeyDGQBJSQWZZTCNP-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.44
Rot. Bonds4

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

2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105137300) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
PubChem CID105137300
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1csnn1
InChIInChI=1S/C11H12ClN3OS/c1-16-11-3-2-8(12)4-7(11)5-9(13)10-6-17-15-14-10/h2-4,6,9H,5,13H2,1H3
InChIKeyDGQBJSQWZZTCNP-UHFFFAOYSA-N
XLogP2.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105107355
2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105137302
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115845063
2-(5-chloro-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105137374
2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
CID 102923378
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine (CID 105137300) is 2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine is COc1ccc(Cl)cc1CC(N)c1csnn1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is DGQBJSQWZZTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-16-11-3-2-8(12)4-7(11)5-9(13)10-6-17-15-14-10/h2-4,6,9H,5,13H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 269.76 g/mol, XLogP of 2.44, 4 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-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105137300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).