N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

C23H23N3O5S — CID 1458222

IUPACN-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)cs2)cc(OC)c1OC
InChIInChI=1S/C23H23N3O5S/c1-13(27)26-8-7-15-9-14(5-6-18(15)26)17-12-32-23(24-17)25-22(28)16-10-19(29-2)21(31-4)20(11-16)30-3/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,28)
InChIKeyLDUFYLLUDQIPNS-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.00
Rot. Bonds6

About N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 1458222) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID1458222
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)cs2)cc(OC)c1OC
InChIInChI=1S/C23H23N3O5S/c1-13(27)26-8-7-15-9-14(5-6-18(15)26)17-12-32-23(24-17)25-22(28)16-10-19(29-2)21(31-4)20(11-16)30-3/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,28)
InChIKeyLDUFYLLUDQIPNS-UHFFFAOYSA-N
XLogP4.00
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1451010
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 39073479
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 39073464
1-acetyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 36538459
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 39073463
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 39073469
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 1458291
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 39073454
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 53347968

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (CID 1458222) is N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)cs2)cc(OC)c1OC.
What is the InChIKey of N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is LDUFYLLUDQIPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-13(27)26-8-7-15-9-14(5-6-18(15)26)17-12-32-23(24-17)25-22(28)16-10-19(29-2)21(31-4)20(11-16)30-3/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,28).
What are the key properties of N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 453.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1458222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).