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

C22H28N4O3S — CID 1451028

IUPACN-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C
InChIInChI=1S/C22H28N4O3S/c1-14(2)21(28)26-7-6-16-12-17(4-5-18(16)26)20-15(3)30-22(24-20)23-19(27)13-25-8-10-29-11-9-25/h4-5,12,14H,6-11,13H2,1-3H3,(H,23,24,27)
InChIKeyGKKWIJLELPNNBH-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.93
Rot. Bonds5

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

N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 1451028) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID1451028
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C
InChIInChI=1S/C22H28N4O3S/c1-14(2)21(28)26-7-6-16-12-17(4-5-18(16)26)20-15(3)30-22(24-20)23-19(27)13-25-8-10-29-11-9-25/h4-5,12,14H,6-11,13H2,1-3H3,(H,23,24,27)
InChIKeyGKKWIJLELPNNBH-UHFFFAOYSA-N
XLogP2.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 3231861
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 167995697
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 1451021
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
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
N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1451036
N-[4-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 5019705
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-propan-2-ylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448779
2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(1-methylpyrrole-2-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448768

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 1451028) is N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is Cc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C.
What is the InChIKey of N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is GKKWIJLELPNNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-14(2)21(28)26-7-6-16-12-17(4-5-18(16)26)20-15(3)30-22(24-20)23-19(27)13-25-8-10-29-11-9-25/h4-5,12,14H,6-11,13H2,1-3H3,(H,23,24,27).
What are the key properties of N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 428.56 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1451028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).