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

C13H16FN3OS — CID 105144608

IUPAC(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3OS/c1-3-4-10-13(19-17-16-10)12(15)8-5-6-11(18-2)9(14)7-8/h5-7,12H,3-4,15H2,1-2H3
InChIKeyNDIGWZKBPFWHAK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.69
Rot. Bonds5

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

(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105144608) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105144608
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3OS/c1-3-4-10-13(19-17-16-10)12(15)8-5-6-11(18-2)9(14)7-8/h5-7,12H,3-4,15H2,1-2H3
InChIKeyNDIGWZKBPFWHAK-UHFFFAOYSA-N
XLogP2.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.69
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)methanamine
CID 105164625
1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105144492
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105102650
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105111113
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105175924
(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474116
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine (CID 105144608) is (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(N)c1ccc(OC)c(F)c1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is NDIGWZKBPFWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-3-4-10-13(19-17-16-10)12(15)8-5-6-11(18-2)9(14)7-8/h5-7,12H,3-4,15H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine?
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105144608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).