(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine

C14H19N3O2S — CID 105141276

IUPAC(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19N3O2S/c1-4-5-10-14(20-17-16-10)13(15)9-6-7-11(18-2)12(8-9)19-3/h6-8,13H,4-5,15H2,1-3H3
InChIKeyGCXFVFAJSBHHPL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.56
Rot. Bonds6

About (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine

(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105141276) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105141276
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19N3O2S/c1-4-5-10-14(20-17-16-10)13(15)9-6-7-11(18-2)12(8-9)19-3/h6-8,13H,4-5,15H2,1-3H3
InChIKeyGCXFVFAJSBHHPL-UHFFFAOYSA-N
XLogP2.56
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105164625
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105111113
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105102650
(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105141195
2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 105141062
[2-(5-bromo-2-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethyl]hydrazine
CID 105290123
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine (CID 105141276) is (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(N)c1ccc(OC)c(OC)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is GCXFVFAJSBHHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-5-10-14(20-17-16-10)13(15)9-6-7-11(18-2)12(8-9)19-3/h6-8,13H,4-5,15H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 293.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105141276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).