1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine

C14H17N3S — CID 105188804

IUPAC1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1ccccc1C1CCC1
InChIInChI=1S/C14H17N3S/c1-15-14(13-9-18-17-16-13)12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-10,14-15H,4-6H2,1H3
InChIKeyFPTVSWMAULKRFF-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine

1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine (PubChem CID 105188804) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
PubChem CID105188804
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1ccccc1C1CCC1
InChIInChI=1S/C14H17N3S/c1-15-14(13-9-18-17-16-13)12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-10,14-15H,4-6H2,1H3
InChIKeyFPTVSWMAULKRFF-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclobutylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114602735
1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 114602530
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066142
1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052155
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114604500
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114604437
1-(2-cyclobutylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105188892
1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105172720
1-(2-cyclobutylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105052188
[(2-cyclobutylphenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105341381
1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105052150

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine (CID 105188804) is 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine is CNC(c1csnn1)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The InChIKey is FPTVSWMAULKRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-15-14(13-9-18-17-16-13)12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-10,14-15H,4-6H2,1H3.
What are the key properties of 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine has a molecular weight of 259.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105188804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).