N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

C25H26N4O2S — CID 1450534

IUPACN-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)CN5CCCC5)n4)ccc32)c1
InChIInChI=1S/C25H26N4O2S/c1-17-5-4-6-20(13-17)24(31)29-12-9-19-14-18(7-8-22(19)29)21-16-32-25(26-21)27-23(30)15-28-10-2-3-11-28/h4-8,13-14,16H,2-3,9-12,15H2,1H3,(H,26,27,30)
InChIKeyHXFOATAHQNOMEG-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.36
Rot. Bonds5

About N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 1450534) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID1450534
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)CN5CCCC5)n4)ccc32)c1
InChIInChI=1S/C25H26N4O2S/c1-17-5-4-6-20(13-17)24(31)29-12-9-19-14-18(7-8-22(19)29)21-16-32-25(26-21)27-23(30)15-28-10-2-3-11-28/h4-8,13-14,16H,2-3,9-12,15H2,1H3,(H,26,27,30)
InChIKeyHXFOATAHQNOMEG-UHFFFAOYSA-N
XLogP4.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143527
N-methyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143529
N,N-dimethyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143530
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143531
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143533
[5-(2-tert-Butylamino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-cyclopropyl-methanone
CID 6487686
(2-Fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1450294
2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 23661566
N-(2-aminoethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143532
N-(2-amino-2-oxoethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143534
N-(3-amino-3-oxopropyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143535
N-(2-hydroxyethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143536

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 1450534) is N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)CN5CCCC5)n4)ccc32)c1.
What is the InChIKey of N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is HXFOATAHQNOMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-17-5-4-6-20(13-17)24(31)29-12-9-19-14-18(7-8-22(19)29)21-16-32-25(26-21)27-23(30)15-28-10-2-3-11-28/h4-8,13-14,16H,2-3,9-12,15H2,1H3,(H,26,27,30).
What are the key properties of N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 446.58 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1450534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).