2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole

C12H18FN3S — CID 169148614

IUPAC2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole
SMILESFC1CCN(C2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C12H18FN3S/c13-10-1-5-16(9-10)11-2-6-15(7-3-11)12-14-4-8-17-12/h4,8,10-11H,1-3,5-7,9H2
InChIKeyCQJXUFWGMXNMRE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.16
Rot. Bonds2

About 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole

2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole (PubChem CID 169148614) has the molecular formula C12H18FN3S and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole
PubChem CID169148614
Molecular FormulaC12H18FN3S
Molecular Weight255.36 g/mol
Exact Mass255.12
IUPAC Name2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole
SMILESFC1CCN(C2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C12H18FN3S/c13-10-1-5-16(9-10)11-2-6-15(7-3-11)12-14-4-8-17-12/h4,8,10-11H,1-3,5-7,9H2
InChIKeyCQJXUFWGMXNMRE-UHFFFAOYSA-N
XLogP2.16
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Thiazol-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 44427091
2-(Pyrrolidin-1-yl)thiazole
CID 2513533
N-(1,3-thiazol-2-yl)piperidin-4-amine
CID 43345808
1-(1,3-Thiazol-2-yl)piperidin-4-amine
CID 43430566
2-[8-(2,2,2-Trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
CID 134790741
1-(1,3-Thiazol-2-yl)piperidine
CID 15110477
2-Dibutylaminothiazole
CID 57506949
rel-(3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)-3-pyrrolidinamine dihydrochloride
CID 72890994
1-(1,3-thiazol-2-yl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 97810837
2-(4,4-Difluoropiperidin-1-yl)thiazole
CID 121184631
2-(3-Fluoropiperidin-1-yl)-1,3-thiazole
CID 145898296
N,N-dihexyl-1,3-thiazol-2-amine
CID 19863217

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole (CID 169148614) is 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole is FC1CCN(C2CCN(c3nccs3)CC2)C1.
What is the InChIKey of 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is CQJXUFWGMXNMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3S/c13-10-1-5-16(9-10)11-2-6-15(7-3-11)12-14-4-8-17-12/h4,8,10-11H,1-3,5-7,9H2.
What are the key properties of 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole?
2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 255.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 169148614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).