2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide

C18H21N3O2S — CID 1458890

IUPAC2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)C(C)C)n3)ccc21
InChIInChI=1S/C18H21N3O2S/c1-4-16(22)21-8-7-13-9-12(5-6-15(13)21)14-10-24-18(19-14)20-17(23)11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20,23)
InChIKeyWOVFUYVYUWKSKC-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.70
Rot. Bonds4

About 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 1458890) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID1458890
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)C(C)C)n3)ccc21
InChIInChI=1S/C18H21N3O2S/c1-4-16(22)21-8-7-13-9-12(5-6-15(13)21)14-10-24-18(19-14)20-17(23)11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20,23)
InChIKeyWOVFUYVYUWKSKC-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-1,3-oxazole-4-carboxamide
CID 53347968
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
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
1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide
CID 167750557
N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 1458331
1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 1438641
[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 1458291
3,4-difluoro-N-[4-[1-(2-methylbutanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 3226579
2-methyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 3707611
N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 167773591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide (CID 1458890) is 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide is CCC(=O)N1CCc2cc(-c3csc(NC(=O)C(C)C)n3)ccc21.
What is the InChIKey of 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is WOVFUYVYUWKSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-16(22)21-8-7-13-9-12(5-6-15(13)21)14-10-24-18(19-14)20-17(23)11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20,23).
What are the key properties of 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 343.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 1458890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).