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

C25H26N4O3S — CID 1450501

IUPACN-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCOCC4)n3)ccc21
InChIInChI=1S/C25H26N4O3S/c1-17-4-2-3-5-20(17)24(31)29-9-8-19-14-18(6-7-22(19)29)21-16-33-25(26-21)27-23(30)15-28-10-12-32-13-11-28/h2-7,14,16H,8-13,15H2,1H3,(H,26,27,30)
InChIKeyIURQRKIXWIHTOU-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.59
Rot. Bonds5

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

N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 1450501) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID1450501
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCOCC4)n3)ccc21
InChIInChI=1S/C25H26N4O3S/c1-17-4-2-3-5-20(17)24(31)29-9-8-19-14-18(6-7-22(19)29)21-16-33-25(26-21)27-23(30)15-28-10-12-32-13-11-28/h2-7,14,16H,8-13,15H2,1H3,(H,26,27,30)
InChIKeyIURQRKIXWIHTOU-UHFFFAOYSA-N
XLogP3.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1451036
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1450514
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 3231861
N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1383858
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1451028
N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 1458331
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 1450598
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 1450501) is N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCOCC4)n3)ccc21.
What is the InChIKey of N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is IURQRKIXWIHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-17-4-2-3-5-20(17)24(31)29-9-8-19-14-18(6-7-22(19)29)21-16-33-25(26-21)27-23(30)15-28-10-12-32-13-11-28/h2-7,14,16H,8-13,15H2,1H3,(H,26,27,30).
What are the key properties of N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 462.58 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1450501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).