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

C24H33N4O3S+ — CID 6983806

IUPACN-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide
SMILESCc1sc(NC(=O)C[NH+]2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C
InChIInChI=1S/C24H32N4O3S/c1-16-22(26-23(32-16)25-20(29)15-27-9-11-31-12-10-27)18-5-6-19-17(13-18)7-8-28(19)21(30)14-24(2,3)4/h5-6,13H,7-12,14-15H2,1-4H3,(H,25,26,29)/p+1
InChIKeyZMWLLCPPVQLUPS-UHFFFAOYSA-O
MW457.62 g/mol
LogP2.30
Rot. Bonds5

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

N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 6983806) has the molecular formula C24H33N4O3S+ and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide
PubChem CID6983806
Molecular FormulaC24H33N4O3S+
Molecular Weight457.62 g/mol
Exact Mass457.23
IUPAC NameN-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide
SMILESCc1sc(NC(=O)C[NH+]2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C
InChIInChI=1S/C24H32N4O3S/c1-16-22(26-23(32-16)25-20(29)15-27-9-11-31-12-10-27)18-5-6-19-17(13-18)7-8-28(19)21(30)14-24(2,3)4/h5-6,13H,7-12,14-15H2,1-4H3,(H,25,26,29)/p+1
InChIKeyZMWLLCPPVQLUPS-UHFFFAOYSA-O
XLogP2.30
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 1451004
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-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1459077
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 1383864
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-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 6490094
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
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-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 5019705
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
ethyl 2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 43816449
3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 1458926

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide (CID 6983806) is N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide is Cc1sc(NC(=O)C[NH+]2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C.
What is the InChIKey of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is ZMWLLCPPVQLUPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N4O3S/c1-16-22(26-23(32-16)25-20(29)15-27-9-11-31-12-10-27)18-5-6-19-17(13-18)7-8-28(19)21(30)14-24(2,3)4/h5-6,13H,7-12,14-15H2,1-4H3,(H,25,26,29)/p+1.
What are the key properties of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide?
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 457.62 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 6983806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).