1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

C16H17FN2OS — CID 96578697

IUPAC1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ncsc1CCC(=O)N1CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11-15(21-10-18-11)6-7-16(20)19-9-8-14(19)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3/t14-/m1/s1
InChIKeyFAIKJEOKIISAEL-CQSZACIVSA-N
MW304.39 g/mol
LogP3.50
Rot. Bonds4

About 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 96578697) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
PubChem CID96578697
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ncsc1CCC(=O)N1CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11-15(21-10-18-11)6-7-16(20)19-9-8-14(19)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3/t14-/m1/s1
InChIKeyFAIKJEOKIISAEL-CQSZACIVSA-N
XLogP3.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide
CID 126444900
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 96574369
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
CID 131938463
1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70787803
2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
CID 135105038
3-(4-methyl-1,3-thiazol-5-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 78082382
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 70756366
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137316825
1-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 124749524
1-[4-(dimethylamino)azepan-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 56899647
1-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 134705728

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (CID 96578697) is 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is Cc1ncsc1CCC(=O)N1CC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is FAIKJEOKIISAEL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-15(21-10-18-11)6-7-16(20)19-9-8-14(19)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 96578697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).