4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine

C11H19FN2OS — CID 103392410

IUPAC4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1csc(C)n1
InChIInChI=1S/C11H19FN2OS/c1-9-14-10(7-16-9)6-11(12,8-15-2)4-3-5-13/h7H,3-6,8,13H2,1-2H3
InChIKeyFKRJQYSKMXGTHQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.09
Rot. Bonds7

About 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine

4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine (PubChem CID 103392410) has the molecular formula C11H19FN2OS and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
PubChem CID103392410
Molecular FormulaC11H19FN2OS
Molecular Weight246.35 g/mol
Exact Mass246.12
IUPAC Name4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1csc(C)n1
InChIInChI=1S/C11H19FN2OS/c1-9-14-10(7-16-9)6-11(12,8-15-2)4-3-5-13/h7H,3-6,8,13H2,1-2H3
InChIKeyFKRJQYSKMXGTHQ-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112567195
4,8,8,8-tetrafluoro-4-(methoxymethyl)octan-1-amine
CID 103392538
5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine
CID 106039419
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
CID 47065587
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 106490163
2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol
CID 106507657
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
CID 106506878
4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 62476800

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine (CID 103392410) is 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine is COCC(F)(CCCN)Cc1csc(C)n1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine?
The InChIKey is FKRJQYSKMXGTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2OS/c1-9-14-10(7-16-9)6-11(12,8-15-2)4-3-5-13/h7H,3-6,8,13H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine?
4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine is sourced from PubChem (CID 103392410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).