1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one

C22H29N3OS — CID 1450967

IUPAC1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC4CCCC4)n3)ccc21
InChIInChI=1S/C22H29N3OS/c1-22(2,3)13-20(26)25-11-10-16-12-15(8-9-19(16)25)18-14-27-21(24-18)23-17-6-4-5-7-17/h8-9,12,14,17H,4-7,10-11,13H2,1-3H3,(H,23,24)
InChIKeyOYYCDDSRXQGHBL-UHFFFAOYSA-N
MW383.56 g/mol
LogP5.49
Rot. Bonds4

About 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one

1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 1450967) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one
PubChem CID1450967
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC4CCCC4)n3)ccc21
InChIInChI=1S/C22H29N3OS/c1-22(2,3)13-20(26)25-11-10-16-12-15(8-9-19(16)25)18-14-27-21(24-18)23-17-6-4-5-7-17/h8-9,12,14,17H,4-7,10-11,13H2,1-3H3,(H,23,24)
InChIKeyOYYCDDSRXQGHBL-UHFFFAOYSA-N
XLogP5.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.56
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one with MolForge

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Related Compounds

[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
CID 1450282
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 1450930
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
3,3-dimethyl-1-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]butan-1-one
CID 1450984
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 53347968
cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1438647
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 53348009
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 1383864
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 24761960
N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1451036

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one (CID 1450967) is 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC4CCCC4)n3)ccc21.
What is the InChIKey of 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is OYYCDDSRXQGHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-22(2,3)13-20(26)25-11-10-16-12-15(8-9-19(16)25)18-14-27-21(24-18)23-17-6-4-5-7-17/h8-9,12,14,17H,4-7,10-11,13H2,1-3H3,(H,23,24).
What are the key properties of 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one?
1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 383.56 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 1450967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).