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

C22H20ClN3O2S — CID 1458926

IUPAC3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(Cl)c4)sc3C)ccc21
InChIInChI=1S/C22H20ClN3O2S/c1-3-19(27)26-10-9-14-11-15(7-8-18(14)26)20-13(2)29-22(24-20)25-21(28)16-5-4-6-17(23)12-16/h4-8,11-12H,3,9-10H2,1-2H3,(H,24,25,28)
InChIKeyVUIBXJCQFQNSCV-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.32
Rot. Bonds4

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

3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1458926) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID1458926
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(Cl)c4)sc3C)ccc21
InChIInChI=1S/C22H20ClN3O2S/c1-3-19(27)26-10-9-14-11-15(7-8-18(14)26)20-13(2)29-22(24-20)25-21(28)16-5-4-6-17(23)12-16/h4-8,11-12H,3,9-10H2,1-2H3,(H,24,25,28)
InChIKeyVUIBXJCQFQNSCV-UHFFFAOYSA-N
XLogP5.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1459077
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 1451021
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 1383864
[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
CID 1450308
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3231828
3,3-dimethyl-1-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]butan-1-one
CID 1450984
ethyl 2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 43816449
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
N-[4-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 5019705
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-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide (CID 1458926) is 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide is CCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(Cl)c4)sc3C)ccc21.
What is the InChIKey of 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VUIBXJCQFQNSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-3-19(27)26-10-9-14-11-15(7-8-18(14)26)20-13(2)29-22(24-20)25-21(28)16-5-4-6-17(23)12-16/h4-8,11-12H,3,9-10H2,1-2H3,(H,24,25,28).
What are the key properties of 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 425.94 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1458926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).