N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide

C20H18FN3O2S — CID 53298979

IUPACN-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CC2CSCN2C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H18FN3O2S/c21-12-4-3-5-13(8-12)22-18(25)16-9-14-10-27-11-24(14)20(16)15-6-1-2-7-17(15)23-19(20)26/h1-8,14,16H,9-11H2,(H,22,25)(H,23,26)
InChIKeyROOCBQBUTPLMFC-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.01
Rot. Bonds2

About N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide

N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide (PubChem CID 53298979) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide
PubChem CID53298979
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CC2CSCN2C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H18FN3O2S/c21-12-4-3-5-13(8-12)22-18(25)16-9-14-10-27-11-24(14)20(16)15-6-1-2-7-17(15)23-19(20)26/h1-8,14,16H,9-11H2,(H,22,25)(H,23,26)
InChIKeyROOCBQBUTPLMFC-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide with MolForge

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Related Compounds

(3R,6'R,7'aR)-N-(3-chloro-2-methylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide
CID 93309666
(2S,3S,8R)-2'-oxo-N-phenylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 162978594
methyl 3-[[(2S,3R,8R)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carbonyl]amino]thiophene-2-carboxylate
CID 156585744
ethyl 4-[[(2R,3S,8S)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carbonyl]amino]benzoate
CID 26913533
methyl 2-[[(2S,3S,8R)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carbonyl]amino]benzoate
CID 83283948
(2S,3R,8R)-N-(4-methylcyclohexyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 164695936
(3S)-6'-(1H-benzimidazole-2-carbonyl)-7'-(3-fluorophenyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 163360791
(3S)-N-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711866
(2S,3R,8R)-2'-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163304744
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid
CID 131663328
(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 99786132
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide (CID 53298979) is N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide is O=C(Nc1cccc(F)c1)C1CC2CSCN2C12C(=O)Nc1ccccc12.
What is the InChIKey of N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide?
The InChIKey is ROOCBQBUTPLMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-12-4-3-5-13(8-12)22-18(25)16-9-14-10-27-11-24(14)20(16)15-6-1-2-7-17(15)23-19(20)26/h1-8,14,16H,9-11H2,(H,22,25)(H,23,26).
What are the key properties of N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide?
N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide is sourced from PubChem (CID 53298979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).