N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine

C15H19N3S — CID 107648731

IUPACN-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(C(Nc2nncs2)C2CCCCC2)cc1
InChIInChI=1S/C15H19N3S/c1-3-7-12(8-4-1)14(13-9-5-2-6-10-13)17-15-18-16-11-19-15/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,17,18)
InChIKeyRJMXHPAGKBIVML-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.27
Rot. Bonds4

About N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine

N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648731) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648731
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(C(Nc2nncs2)C2CCCCC2)cc1
InChIInChI=1S/C15H19N3S/c1-3-7-12(8-4-1)14(13-9-5-2-6-10-13)17-15-18-16-11-19-15/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,17,18)
InChIKeyRJMXHPAGKBIVML-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 107648731) is N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine is c1ccc(C(Nc2nncs2)C2CCCCC2)cc1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RJMXHPAGKBIVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-7-12(8-4-1)14(13-9-5-2-6-10-13)17-15-18-16-11-19-15/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,17,18).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine?
N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).