4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole

C15H17FN2S — CID 124752649

IUPAC4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CC[C@@H]2c2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN2S/c1-11-17-14(10-19-11)6-8-18-9-7-15(18)12-2-4-13(16)5-3-12/h2-5,10,15H,6-9H2,1H3/t15-/m1/s1
InChIKeyKBPKCDYTUSBBHN-OAHLLOKOSA-N
MW276.38 g/mol
LogP3.58
Rot. Bonds4

About 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole

4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 124752649) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID124752649
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CC[C@@H]2c2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN2S/c1-11-17-14(10-19-11)6-8-18-9-7-15(18)12-2-4-13(16)5-3-12/h2-5,10,15H,6-9H2,1H3/t15-/m1/s1
InChIKeyKBPKCDYTUSBBHN-OAHLLOKOSA-N
XLogP3.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one
CID 91841721
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 125002367
4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043580
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 155990745
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
CID 106042327
6-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034326
4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106043362
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039600
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole (CID 124752649) is 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CC[C@@H]2c2ccc(F)cc2)cs1.
What is the InChIKey of 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is KBPKCDYTUSBBHN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-11-17-14(10-19-11)6-8-18-9-7-15(18)12-2-4-13(16)5-3-12/h2-5,10,15H,6-9H2,1H3/t15-/m1/s1.
What are the key properties of 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 276.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 124752649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).