N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine

C15H20ClN3S — CID 105076429

IUPACN-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1snnc1C(C)C
InChIInChI=1S/C15H20ClN3S/c1-4-9-17-14(11-5-7-12(16)8-6-11)15-13(10(2)3)18-19-20-15/h5-8,10,14,17H,4,9H2,1-3H3
InChIKeyGHCPQBQXQVWXIT-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.40
Rot. Bonds6

About N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine

N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105076429) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105076429
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC NameN-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1snnc1C(C)C
InChIInChI=1S/C15H20ClN3S/c1-4-9-17-14(11-5-7-12(16)8-6-11)15-13(10(2)3)18-19-20-15/h5-8,10,14,17H,4,9H2,1-3H3
InChIKeyGHCPQBQXQVWXIT-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105090721
N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105173924
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
[(4-propan-2-ylthiadiazol-5-yl)-(4-propylphenyl)methyl]hydrazine
CID 105303905
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105085999
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluorophenyl)methyl]propan-1-amine
CID 105088130
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105076350

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine (CID 105076429) is N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)c1snnc1C(C)C.
What is the InChIKey of N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is GHCPQBQXQVWXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-4-9-17-14(11-5-7-12(16)8-6-11)15-13(10(2)3)18-19-20-15/h5-8,10,14,17H,4,9H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 309.87 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105076429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).