N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide

C20H15Cl2N3O2S — CID 39073469

IUPACN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
SMILESCC(=O)N1CCc2ccc(-c3csc(NC(=O)c4ccc(Cl)c(Cl)c4)n3)cc21
InChIInChI=1S/C20H15Cl2N3O2S/c1-11(26)25-7-6-12-2-3-13(9-18(12)25)17-10-28-20(23-17)24-19(27)14-4-5-15(21)16(22)8-14/h2-5,8-10H,6-7H2,1H3,(H,23,24,27)
InChIKeyHKIRVUZYHCYHNN-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.28
Rot. Bonds3

About N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide

N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide (PubChem CID 39073469) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
PubChem CID39073469
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC NameN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
SMILESCC(=O)N1CCc2ccc(-c3csc(NC(=O)c4ccc(Cl)c(Cl)c4)n3)cc21
InChIInChI=1S/C20H15Cl2N3O2S/c1-11(26)25-7-6-12-2-3-13(9-18(12)25)17-10-28-20(23-17)24-19(27)14-4-5-15(21)16(22)8-14/h2-5,8-10H,6-7H2,1H3,(H,23,24,27)
InChIKeyHKIRVUZYHCYHNN-UHFFFAOYSA-N
XLogP5.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-fluorobenzamide
CID 39073454
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 39073464
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2,3,4-trifluorobenzamide
CID 39073636
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-methylbutanamide
CID 39073433
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 39073559
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1458222
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
1-acetyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 36538459

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide (CID 39073469) is N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide is CC(=O)N1CCc2ccc(-c3csc(NC(=O)c4ccc(Cl)c(Cl)c4)n3)cc21.
What is the InChIKey of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The InChIKey is HKIRVUZYHCYHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c1-11(26)25-7-6-12-2-3-13(9-18(12)25)17-10-28-20(23-17)24-19(27)14-4-5-15(21)16(22)8-14/h2-5,8-10H,6-7H2,1H3,(H,23,24,27).
What are the key properties of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide has a molecular weight of 432.33 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide is sourced from PubChem (CID 39073469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).