1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine

C12H11N3S2 — CID 105172720

IUPAC1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1cccc2ccsc12
InChIInChI=1S/C12H11N3S2/c1-13-11(10-7-17-15-14-10)9-4-2-3-8-5-6-16-12(8)9/h2-7,11,13H,1H3
InChIKeyQTIGZSBIBIJRLZ-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.06
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine

1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine (PubChem CID 105172720) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
PubChem CID105172720
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC Name1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1cccc2ccsc12
InChIInChI=1S/C12H11N3S2/c1-13-11(10-7-17-15-14-10)9-4-2-3-8-5-6-16-12(8)9/h2-7,11,13H,1H3
InChIKeyQTIGZSBIBIJRLZ-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-benzothiophen-7-yl(thiadiazol-4-yl)methyl]hydrazine
CID 105327655
1-benzothiophen-7-yl(thiadiazol-4-yl)methanol
CID 105119193
1-(1-benzothiophen-7-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 81154346
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
1-(1-benzothiophen-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 105021870
1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107968843
1-(2,6-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105149290
1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 81153387
1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764
1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105188804
N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine
CID 105153904
[naphthalen-1-yl(thiadiazol-4-yl)methyl]hydrazine
CID 105301211

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine (CID 105172720) is 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine is CNC(c1csnn1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The InChIKey is QTIGZSBIBIJRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-13-11(10-7-17-15-14-10)9-4-2-3-8-5-6-16-12(8)9/h2-7,11,13H,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine has a molecular weight of 261.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105172720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).