(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine

C13H16ClN3OS — CID 105164625

IUPAC(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H16ClN3OS/c1-3-4-10-13(19-17-16-10)12(15)8-5-6-9(14)11(7-8)18-2/h5-7,12H,3-4,15H2,1-2H3
InChIKeyUFHZUIKUXGMZNR-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.20
Rot. Bonds5

About (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine

(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105164625) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105164625
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H16ClN3OS/c1-3-4-10-13(19-17-16-10)12(15)8-5-6-9(14)11(7-8)18-2/h5-7,12H,3-4,15H2,1-2H3
InChIKeyUFHZUIKUXGMZNR-UHFFFAOYSA-N
XLogP3.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105141276
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105111113
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105006834
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105111085
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103373770
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine (CID 105164625) is (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(N)c1ccc(Cl)c(OC)c1.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is UFHZUIKUXGMZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-3-4-10-13(19-17-16-10)12(15)8-5-6-9(14)11(7-8)18-2/h5-7,12H,3-4,15H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 297.81 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105164625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).