4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine

C15H19N3S — CID 116506918

IUPAC4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H19N3S/c1-2-10-16-15-14(17-19-18-15)13-8-6-12(7-9-13)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,18)
InChIKeyQQKFYBNURIADRW-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.29
Rot. Bonds5

About 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine

4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine (PubChem CID 116506918) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
PubChem CID116506918
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H19N3S/c1-2-10-16-15-14(17-19-18-15)13-8-6-12(7-9-13)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,18)
InChIKeyQQKFYBNURIADRW-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclobutylphenyl)-5-methyl-N-propylpyrimidin-2-amine
CID 116506989
6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine
CID 116506983
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 102838564
4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine
CID 116506929
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 79980922
4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 82823097
4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine
CID 116506911
4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 114523366
4-(3-phenyltriazol-4-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 114691001
4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 106646781
1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116506114
N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine
CID 79739368

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine (CID 116506918) is 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine is CCCNc1nsnc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The InChIKey is QQKFYBNURIADRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-10-16-15-14(17-19-18-15)13-8-6-12(7-9-13)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,18).
What are the key properties of 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine has a molecular weight of 273.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 116506918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).