N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

C15H21N3O2S — CID 105168373

IUPACN-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cc(OC)c1)c1snnc1C
InChIInChI=1S/C15H21N3O2S/c1-5-6-16-14(15-10(2)17-18-21-15)11-7-12(19-3)9-13(8-11)20-4/h7-9,14,16H,5-6H2,1-4H3
InChIKeyCPSGMEIYPJEHHA-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.95
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105168373) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105168373
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cc(OC)c1)c1snnc1C
InChIInChI=1S/C15H21N3O2S/c1-5-6-16-14(15-10(2)17-18-21-15)11-7-12(19-3)9-13(8-11)20-4/h7-9,14,16H,5-6H2,1-4H3
InChIKeyCPSGMEIYPJEHHA-UHFFFAOYSA-N
XLogP2.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105172648
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105151019
N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105168364
N-[(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 105150034
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105170013
N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105185696
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[(3-bromo-2,6-difluorophenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 106944775
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine (CID 105168373) is N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cc(OC)cc(OC)c1)c1snnc1C.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is CPSGMEIYPJEHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-6-16-14(15-10(2)17-18-21-15)11-7-12(19-3)9-13(8-11)20-4/h7-9,14,16H,5-6H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 307.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105168373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).