1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine

C13H16ClN3OS — CID 105164481

IUPAC1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H16ClN3OS/c1-4-10-13(19-17-16-10)12(15-2)8-5-6-9(14)11(7-8)18-3/h5-7,12,15H,4H2,1-3H3
InChIKeyKCIAGGFIAWZMQN-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine

1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine (PubChem CID 105164481) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
PubChem CID105164481
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H16ClN3OS/c1-4-10-13(19-17-16-10)12(15-2)8-5-6-9(14)11(7-8)18-3/h5-7,12,15H,4H2,1-3H3
InChIKeyKCIAGGFIAWZMQN-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105144492
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 105144640
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105111113
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105164625
1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105145714
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105164456
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105172229
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105143327
[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320871

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine (CID 105164481) is 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine is CCc1nnsc1C(NC)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The InChIKey is KCIAGGFIAWZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-4-10-13(19-17-16-10)12(15-2)8-5-6-9(14)11(7-8)18-3/h5-7,12,15H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine has a molecular weight of 297.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105164481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).