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

C20H16FN3O2S — CID 39073454

IUPACN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide
SMILESCC(=O)N1CCc2ccc(-c3csc(NC(=O)c4cccc(F)c4)n3)cc21
InChIInChI=1S/C20H16FN3O2S/c1-12(25)24-8-7-13-5-6-14(10-18(13)24)17-11-27-20(22-17)23-19(26)15-3-2-4-16(21)9-15/h2-6,9-11H,7-8H2,1H3,(H,22,23,26)
InChIKeyLFWUVNBMVYGPMV-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.11
Rot. Bonds3

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

N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide (PubChem CID 39073454) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide
PubChem CID39073454
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC NameN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide
SMILESCC(=O)N1CCc2ccc(-c3csc(NC(=O)c4cccc(F)c4)n3)cc21
InChIInChI=1S/C20H16FN3O2S/c1-12(25)24-8-7-13-5-6-14(10-18(13)24)17-11-27-20(22-17)23-19(26)15-3-2-4-16(21)9-15/h2-6,9-11H,7-8H2,1H3,(H,22,23,26)
InChIKeyLFWUVNBMVYGPMV-UHFFFAOYSA-N
XLogP4.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.11
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-methoxybenzamide
CID 39073464
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 39073469
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]-2,3,4-trifluorobenzamide
CID 39073636
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 3231852
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-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1458222
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 39073559
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
N-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 112805403
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide (CID 39073454) is N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide is CC(=O)N1CCc2ccc(-c3csc(NC(=O)c4cccc(F)c4)n3)cc21.
What is the InChIKey of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide?
The InChIKey is LFWUVNBMVYGPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-12(25)24-8-7-13-5-6-14(10-18(13)24)17-11-27-20(22-17)23-19(26)15-3-2-4-16(21)9-15/h2-6,9-11H,7-8H2,1H3,(H,22,23,26).
What are the key properties of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide?
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide has a molecular weight of 381.43 g/mol, XLogP of 4.11, 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-fluorobenzamide is sourced from PubChem (CID 39073454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).