1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

C24H26N4OS — CID 134809745

IUPAC1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCc1nc(CN2CC3(CCN(C)C3)c3cc(C(=O)Nc4ccccc4)ccc32)cs1
InChIInChI=1S/C24H26N4OS/c1-17-25-20(14-30-17)13-28-16-24(10-11-27(2)15-24)21-12-18(8-9-22(21)28)23(29)26-19-6-4-3-5-7-19/h3-9,12,14H,10-11,13,15-16H2,1-2H3,(H,26,29)
InChIKeyLAJRJDKNIXQCDN-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.30
Rot. Bonds4

About 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (PubChem CID 134809745) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.

Molecular Properties

Compound Name1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
PubChem CID134809745
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCc1nc(CN2CC3(CCN(C)C3)c3cc(C(=O)Nc4ccccc4)ccc32)cs1
InChIInChI=1S/C24H26N4OS/c1-17-25-20(14-30-17)13-28-16-24(10-11-27(2)15-24)21-12-18(8-9-22(21)28)23(29)26-19-6-4-3-5-7-19/h3-9,12,14H,10-11,13,15-16H2,1-2H3,(H,26,29)
InChIKeyLAJRJDKNIXQCDN-UHFFFAOYSA-N
XLogP4.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134809965
1-(cyclopropylmethyl)-1'-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134807365
1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134808150
1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134806768
1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134805058
methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenylpiperidine-4-carboxylate
CID 75421629
N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134808469
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 154858863
[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-phenylmethanone
CID 134070367
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 24590537

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The IUPAC name of 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (CID 134809745) is 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.
What is the SMILES notation for 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The canonical SMILES for 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is Cc1nc(CN2CC3(CCN(C)C3)c3cc(C(=O)Nc4ccccc4)ccc32)cs1.
What is the InChIKey of 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The InChIKey is LAJRJDKNIXQCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-17-25-20(14-30-17)13-28-16-24(10-11-27(2)15-24)21-12-18(8-9-22(21)28)23(29)26-19-6-4-3-5-7-19/h3-9,12,14H,10-11,13,15-16H2,1-2H3,(H,26,29).
What are the key properties of 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide has a molecular weight of 418.57 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is sourced from PubChem (CID 134809745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).