(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

C13H16FN3OS — CID 105176488

IUPAC(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1snnc1C(C)C
InChIInChI=1S/C13H16FN3OS/c1-7(2)12-13(19-17-16-12)11(15)9-6-8(14)4-5-10(9)18-3/h4-7,11H,15H2,1-3H3
InChIKeyYCBDILQMBLQKOD-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.86
Rot. Bonds4

About (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105176488) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105176488
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1snnc1C(C)C
InChIInChI=1S/C13H16FN3OS/c1-7(2)12-13(19-17-16-12)11(15)9-6-8(14)4-5-10(9)18-3/h4-7,11H,15H2,1-3H3
InChIKeyYCBDILQMBLQKOD-UHFFFAOYSA-N
XLogP2.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144931
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
[(2,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105305151
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105168313
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105176488) is (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is COc1ccc(F)cc1C(N)c1snnc1C(C)C.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is YCBDILQMBLQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-7(2)12-13(19-17-16-12)11(15)9-6-8(14)4-5-10(9)18-3/h4-7,11H,15H2,1-3H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105176488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).