7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one

C26H22ClN3O2S — CID 4891388

IUPAC7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2cccnc2)C(c2ccc(Cl)cc2)C2CSCN21
InChIInChI=1S/C26H22ClN3O2S/c1-15-4-9-20-19(11-15)26(25(32)29-20)23(24(31)17-3-2-10-28-12-17)22(21-13-33-14-30(21)26)16-5-7-18(27)8-6-16/h2-12,21-23H,13-14H2,1H3,(H,29,32)
InChIKeyKGHZUJBAAISBOC-UHFFFAOYSA-N
MW476.00 g/mol
LogP4.86
Rot. Bonds3

About 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one

7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one (PubChem CID 4891388) has the molecular formula C26H22ClN3O2S and a molecular weight of 476.00 g/mol. Its IUPAC name is 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one.

Molecular Properties

Compound Name7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
PubChem CID4891388
Molecular FormulaC26H22ClN3O2S
Molecular Weight476.00 g/mol
Exact Mass475.11
IUPAC Name7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2cccnc2)C(c2ccc(Cl)cc2)C2CSCN21
InChIInChI=1S/C26H22ClN3O2S/c1-15-4-9-20-19(11-15)26(25(32)29-20)23(24(31)17-3-2-10-28-12-17)22(21-13-33-14-30(21)26)16-5-7-18(27)8-6-16/h2-12,21-23H,13-14H2,1H3,(H,29,32)
InChIKeyKGHZUJBAAISBOC-UHFFFAOYSA-N
XLogP4.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one with MolForge

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Related Compounds

(3S,6'S,7'R,7'aR)-7'-(4-chlorophenyl)-5-fluoro-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 29021249
7'-(4-chlorophenyl)-5-fluoro-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 4893561
6'-benzoyl-5-methyl-7'-phenylspiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 4886448
(3R,6'R,7'R,7'aS)-5,7-dimethyl-7'-(4-nitrophenyl)-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 40937157
(3R,6'S,7'R,7'aR)-5-methyl-6'-(4-methylbenzoyl)-7'-(4-nitrophenyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 41020698
(3S,6'S,7'S,7'aS)-6'-(4-methylbenzoyl)-7'-phenylspiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 98363411
(3S,6'R,7'S,7'aS)-6'-benzoyl-5-methyl-7'-(3-nitrophenyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 40819305
(3S,6'R,7'R,7'aS)-5-methyl-7'-(4-nitrophenyl)-6'-(pyridine-2-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 40929032
(3S,6'R,7'R,7'aR)-5-methyl-6'-(4-methylbenzoyl)-7'-(3-nitrophenyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 40785531
(3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 29056886
(3S)-6'-(1H-benzimidazole-2-carbonyl)-7'-(4-chlorophenyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 163360840
(3S,6'S,7'S,7'aS)-6'-(4-methylbenzoyl)-7'-(4-nitrophenyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 98654898

Frequently Asked Questions

What is the IUPAC name of 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one?
The IUPAC name of 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one (CID 4891388) is 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one.
What is the SMILES notation for 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one?
The canonical SMILES for 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one is Cc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2cccnc2)C(c2ccc(Cl)cc2)C2CSCN21.
What is the InChIKey of 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one?
The InChIKey is KGHZUJBAAISBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2S/c1-15-4-9-20-19(11-15)26(25(32)29-20)23(24(31)17-3-2-10-28-12-17)22(21-13-33-14-30(21)26)16-5-7-18(27)8-6-16/h2-12,21-23H,13-14H2,1H3,(H,29,32).
What are the key properties of 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one?
7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one has a molecular weight of 476.00 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one is sourced from PubChem (CID 4891388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).