N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine

C16H22ClN3S — CID 105085999

IUPACN-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1snnc1C(C)C
InChIInChI=1S/C16H22ClN3S/c1-4-8-18-14(10-12-6-5-7-13(17)9-12)16-15(11(2)3)19-20-21-16/h5-7,9,11,14,18H,4,8,10H2,1-3H3
InChIKeyZUITUZHUOYCXJQ-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.60
Rot. Bonds7

About N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105085999) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105085999
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC NameN-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1snnc1C(C)C
InChIInChI=1S/C16H22ClN3S/c1-4-8-18-14(10-12-6-5-7-13(17)9-12)16-15(11(2)3)19-20-21-16/h5-7,9,11,14,18H,4,8,10H2,1-3H3
InChIKeyZUITUZHUOYCXJQ-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
CID 103444831
N-[1-(4-propan-2-ylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169200
N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 106687887
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818258
2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 103043275
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176818

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine (CID 105085999) is N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)c1snnc1C(C)C.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is ZUITUZHUOYCXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-4-8-18-14(10-12-6-5-7-13(17)9-12)16-15(11(2)3)19-20-21-16/h5-7,9,11,14,18H,4,8,10H2,1-3H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 323.89 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105085999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).