1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide

C21H19FN4OS — CID 121128436

IUPAC1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C21H19FN4OS/c22-15-5-6-18-19(9-15)28-21(25-18)26-11-14(12-26)20(27)23-8-7-13-10-24-17-4-2-1-3-16(13)17/h1-6,9-10,14,24H,7-8,11-12H2,(H,23,27)
InChIKeyWZIHNUZFBGMQDN-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.71
Rot. Bonds5

About 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide (PubChem CID 121128436) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide
PubChem CID121128436
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C21H19FN4OS/c22-15-5-6-18-19(9-15)28-21(25-18)26-11-14(12-26)20(27)23-8-7-13-10-24-17-4-2-1-3-16(13)17/h1-6,9-10,14,24H,7-8,11-12H2,(H,23,27)
InChIKeyWZIHNUZFBGMQDN-UHFFFAOYSA-N
XLogP3.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611714
1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 91952358
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 121128604
N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018176
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
CID 121128463
N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128838
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
CID 90603975
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90604215
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide (CID 121128436) is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is WZIHNUZFBGMQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c22-15-5-6-18-19(9-15)28-21(25-18)26-11-14(12-26)20(27)23-8-7-13-10-24-17-4-2-1-3-16(13)17/h1-6,9-10,14,24H,7-8,11-12H2,(H,23,27).
What are the key properties of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide?
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 121128436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).