1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide

C18H20N4O3S — CID 167750557

IUPAC1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCc3cc(C(N)=O)ccc32)cs1
InChIInChI=1S/C18H20N4O3S/c1-10(2)17(25)21-18-20-13(9-26-18)8-15(23)22-6-5-11-7-12(16(19)24)3-4-14(11)22/h3-4,7,9-10H,5-6,8H2,1-2H3,(H2,19,24)(H,20,21,25)
InChIKeyJDTKQYBGMUIMEB-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.97
Rot. Bonds5

About 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide

1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 167750557) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide
PubChem CID167750557
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCc3cc(C(N)=O)ccc32)cs1
InChIInChI=1S/C18H20N4O3S/c1-10(2)17(25)21-18-20-13(9-26-18)8-15(23)22-6-5-11-7-12(16(19)24)3-4-14(11)22/h3-4,7,9-10H,5-6,8H2,1-2H3,(H2,19,24)(H,20,21,25)
InChIKeyJDTKQYBGMUIMEB-UHFFFAOYSA-N
XLogP1.97
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 167773591
N-[4-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166195924
methyl 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55686184
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166216398
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227760
N-[4-[2-(6-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166216389
N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55774566
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 120817223
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87002069
ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide (CID 167750557) is 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide is CC(C)C(=O)Nc1nc(CC(=O)N2CCc3cc(C(N)=O)ccc32)cs1.
What is the InChIKey of 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is JDTKQYBGMUIMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-10(2)17(25)21-18-20-13(9-26-18)8-15(23)22-6-5-11-7-12(16(19)24)3-4-14(11)22/h3-4,7,9-10H,5-6,8H2,1-2H3,(H2,19,24)(H,20,21,25).
What are the key properties of 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide?
1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 167750557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).