(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide

C17H20FN3OS — CID 126444900

IUPAC(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide
SMILESCc1ncsc1CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c1-12-16(23-11-20-12)3-2-9-19-17(22)21-10-8-15(21)13-4-6-14(18)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyFGOAKGCQUNPQAB-OAHLLOKOSA-N
MW333.43 g/mol
LogP3.68
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide

(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide (PubChem CID 126444900) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide
PubChem CID126444900
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide
SMILESCc1ncsc1CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c1-12-16(23-11-20-12)3-2-9-19-17(22)21-10-8-15(21)13-4-6-14(18)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyFGOAKGCQUNPQAB-OAHLLOKOSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 96578697
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepane-1-carboxamide
CID 98574743
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50746934
3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019438
2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 90650982
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 90653038
N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359545
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135089946
4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
(2S,5R)-N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
CID 93001954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide (CID 126444900) is (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide is Cc1ncsc1CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide?
The InChIKey is FGOAKGCQUNPQAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-12-16(23-11-20-12)3-2-9-19-17(22)21-10-8-15(21)13-4-6-14(18)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide?
(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide is sourced from PubChem (CID 126444900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).