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

C10H17FN2OS — CID 103392378

IUPAC4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1nccs1
InChIInChI=1S/C10H17FN2OS/c1-14-8-10(11,3-2-4-12)7-9-13-5-6-15-9/h5-6H,2-4,7-8,12H2,1H3
InChIKeyJTJAZNWKRYNJDI-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.78
Rot. Bonds7

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

4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine (PubChem CID 103392378) has the molecular formula C10H17FN2OS and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine
PubChem CID103392378
Molecular FormulaC10H17FN2OS
Molecular Weight232.32 g/mol
Exact Mass232.10
IUPAC Name4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1nccs1
InChIInChI=1S/C10H17FN2OS/c1-14-8-10(11,3-2-4-12)7-9-13-5-6-15-9/h5-6H,2-4,7-8,12H2,1H3
InChIKeyJTJAZNWKRYNJDI-UHFFFAOYSA-N
XLogP1.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine
CID 71190891
2-(4-Fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole
CID 151704843
2-(4-Fluorooxan-4-yl)-1,3-thiazole
CID 153992382
1-(1,3-Thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148032
N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148300
N-propyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148702
4-(2,2-Difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 103148903
4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 103149239
4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 103149573
3-Fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 107443486
2-Fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 112565910
2-Fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 112566441

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine (CID 103392378) is 4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine is COCC(F)(CCCN)Cc1nccs1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine?
The InChIKey is JTJAZNWKRYNJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2OS/c1-14-8-10(11,3-2-4-12)7-9-13-5-6-15-9/h5-6H,2-4,7-8,12H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine?
4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine has a molecular weight of 232.32 g/mol, XLogP of 1.78, 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-(1,3-thiazol-2-yl)pentan-1-amine is sourced from PubChem (CID 103392378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).