N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine

C15H21N3S — CID 105092612

IUPACN-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1snnc1CC
InChIInChI=1S/C15H21N3S/c1-4-10-16-14(12-8-6-11(3)7-9-12)15-13(5-2)17-18-19-15/h6-9,14,16H,4-5,10H2,1-3H3
InChIKeyLBTPSVAUGAEMTF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.50
Rot. Bonds6

About N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine

N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 105092612) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
PubChem CID105092612
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1snnc1CC
InChIInChI=1S/C15H21N3S/c1-4-10-16-14(12-8-6-11(3)7-9-12)15-13(5-2)17-18-19-15/h6-9,14,16H,4-5,10H2,1-3H3
InChIKeyLBTPSVAUGAEMTF-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylthiadiazol-5-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094965
N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164387
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105170013
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 105146355
N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
CID 105145067
N-[(3-bromo-2,6-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
CID 106944961
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluorophenyl)methyl]propan-1-amine
CID 105088130

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine (CID 105092612) is N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)c1snnc1CC.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is LBTPSVAUGAEMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-10-16-14(12-8-6-11(3)7-9-12)15-13(5-2)17-18-19-15/h6-9,14,16H,4-5,10H2,1-3H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine?
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105092612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).