N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine

C12H17FN2OS — CID 126856192

IUPACN-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESF[C@@H]1CCC[C@H]1N(c1nccs1)C1CCOC1
InChIInChI=1S/C12H17FN2OS/c13-10-2-1-3-11(10)15(9-4-6-16-8-9)12-14-5-7-17-12/h5,7,9-11H,1-4,6,8H2/t9?,10-,11-/m1/s1
InChIKeyUYNPOZLWVVQRRT-FHZGLPGMSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds3

About N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine

N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 126856192) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID126856192
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC NameN-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESF[C@@H]1CCC[C@H]1N(c1nccs1)C1CCOC1
InChIInChI=1S/C12H17FN2OS/c13-10-2-1-3-11(10)15(9-4-6-16-8-9)12-14-5-7-17-12/h5,7,9-11H,1-4,6,8H2/t9?,10-,11-/m1/s1
InChIKeyUYNPOZLWVVQRRT-FHZGLPGMSA-N
XLogP2.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4S)-4-fluorooxolan-3-yl]-4-(1,3-thiazol-2-yl)piperazine
CID 126856291
N-(4-fluorooxolan-3-yl)-1,3-thiazol-2-amine
CID 126856308
N-(4-fluorooxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 126857875
(1-(Thiazol-2-yl)pyrrolidin-2-yl)methanol
CID 19013442
[(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 54064354
N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 58618043
4-(1,3-Thiazol-2-yl)-1,4-oxazepane
CID 59156499
N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 68697616
2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole
CID 89133920
2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 141154331
2-[2-(Methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 153931360
2-[2-(Methoxymethoxymethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 17848285

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 126856192) is N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine is F[C@@H]1CCC[C@H]1N(c1nccs1)C1CCOC1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is UYNPOZLWVVQRRT-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H17FN2OS/c13-10-2-1-3-11(10)15(9-4-6-16-8-9)12-14-5-7-17-12/h5,7,9-11H,1-4,6,8H2/t9?,10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126856192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).