N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine

C12H17FN2OS — CID 126857107

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine
SMILESFC1OCCCC1NCc1nc2c(s1)CCC2
InChIInChI=1S/C12H17FN2OS/c13-12-9(4-2-6-16-12)14-7-11-15-8-3-1-5-10(8)17-11/h9,12,14H,1-7H2
InChIKeyJHBYAEZMVJNTQT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.20
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine (PubChem CID 126857107) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine
PubChem CID126857107
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine
SMILESFC1OCCCC1NCc1nc2c(s1)CCC2
InChIInChI=1S/C12H17FN2OS/c13-12-9(4-2-6-16-12)14-7-11-15-8-3-1-5-10(8)17-11/h9,12,14H,1-7H2
InChIKeyJHBYAEZMVJNTQT-UHFFFAOYSA-N
XLogP2.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2,5,5-trimethylmorpholine
CID 97880668
N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 164634350
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-fluoropropan-1-amine
CID 115887949
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-fluoropropan-1-amine
CID 115997497
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine
CID 46784919
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol
CID 46784920
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 46784922
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 46784926
2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]ethanol
CID 46784927
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 46784929
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine
CID 55065888
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55066614

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine (CID 126857107) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine is FC1OCCCC1NCc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine?
The InChIKey is JHBYAEZMVJNTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c13-12-9(4-2-6-16-12)14-7-11-15-8-3-1-5-10(8)17-11/h9,12,14H,1-7H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-fluorooxan-3-amine is sourced from PubChem (CID 126857107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).