[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine

C15H19N3S — CID 82360101

IUPAC[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C15H19N3S/c16-10-14-17-18-15(19-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10,16H2
InChIKeyKLAQWPHLUKEGKB-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.71
Rot. Bonds3

About [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 82360101) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID82360101
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C15H19N3S/c16-10-14-17-18-15(19-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10,16H2
InChIKeyKLAQWPHLUKEGKB-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexylphenyl)methanamine
CID 22246867
2-(4-cyclohexylphenyl)-1,3-thiazole
CID 82085283
[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360100
5-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]pentanoic acid;hydrochloride
CID 22077385
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 699090
[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82482333
[2-(4-cyclohexylphenyl)phenyl]methanamine
CID 63423765
[4-(4-cyclohexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82299703
4-[4-(4-cyclohexylphenyl)phenyl]cyclohexan-1-amine
CID 139515276
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine (CID 82360101) is [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine is NCc1nnc(-c2ccc(C3CCCCC3)cc2)s1.
What is the InChIKey of [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is KLAQWPHLUKEGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-10-14-17-18-15(19-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10,16H2.
What are the key properties of [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 273.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 82360101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).