N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine

C16H23N3S — CID 105090721

IUPACN-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1snnc1C(C)C
InChIInChI=1S/C16H23N3S/c1-5-9-17-15(13-8-6-7-12(4)10-13)16-14(11(2)3)18-19-20-16/h6-8,10-11,15,17H,5,9H2,1-4H3
InChIKeyFXUUEKFJJZIYTI-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.06
Rot. Bonds6

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

N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105090721) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105090721
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1snnc1C(C)C
InChIInChI=1S/C16H23N3S/c1-5-9-17-15(13-8-6-7-12(4)10-13)16-14(11(2)3)18-19-20-16/h6-8,10-11,15,17H,5,9H2,1-4H3
InChIKeyFXUUEKFJJZIYTI-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105173924
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
[(3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105284851
N-[(3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360196
[[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105340754
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105085999
N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105172648
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 102764197
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine (CID 105090721) is N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1)c1snnc1C(C)C.
What is the InChIKey of N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is FXUUEKFJJZIYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-9-17-15(13-8-6-7-12(4)10-13)16-14(11(2)3)18-19-20-16/h6-8,10-11,15,17H,5,9H2,1-4H3.
What are the key properties of N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105090721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).