1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine

C11H12ClN3OS — CID 105164456

IUPAC1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1csnn1
InChIInChI=1S/C11H12ClN3OS/c1-13-11(9-6-17-15-14-9)7-3-4-8(12)10(5-7)16-2/h3-6,11,13H,1-2H3
InChIKeyXRDKSHLIBGPHBD-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine

1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine (PubChem CID 105164456) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
PubChem CID105164456
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1csnn1
InChIInChI=1S/C11H12ClN3OS/c1-13-11(9-6-17-15-14-9)7-3-4-8(12)10(5-7)16-2/h3-6,11,13H,1-2H3
InChIKeyXRDKSHLIBGPHBD-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105076130
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105007159
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 79700135
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105006971
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
[(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375610
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 79697755

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine (CID 105164456) is 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine is CNC(c1ccc(Cl)c(OC)c1)c1csnn1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The InChIKey is XRDKSHLIBGPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-13-11(9-6-17-15-14-9)7-3-4-8(12)10(5-7)16-2/h3-6,11,13H,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine has a molecular weight of 269.76 g/mol, XLogP of 2.51, 4 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)-N-methyl-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105164456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).