N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide

C23H20FN3O2S — CID 1383858

IUPACN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)C1CCC1
InChIInChI=1S/C23H20FN3O2S/c24-18-7-2-1-6-17(18)22(29)27-11-10-16-12-15(8-9-20(16)27)19-13-30-23(25-19)26-21(28)14-4-3-5-14/h1-2,6-9,12-14H,3-5,10-11H2,(H,25,26,28)
InChIKeyCOSAKJYCVRDJJA-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.89
Rot. Bonds4

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

N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 1383858) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID1383858
Molecular FormulaC23H20FN3O2S
Molecular Weight421.50 g/mol
Exact Mass421.13
IUPAC NameN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)C1CCC1
InChIInChI=1S/C23H20FN3O2S/c24-18-7-2-1-6-17(18)22(29)27-11-10-16-12-15(8-9-20(16)27)19-13-30-23(25-19)26-21(28)14-4-3-5-14/h1-2,6-9,12-14H,3-5,10-11H2,(H,25,26,28)
InChIKeyCOSAKJYCVRDJJA-UHFFFAOYSA-N
XLogP4.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102
2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4089252
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1458463
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1450514
[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
CID 1450282
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone
CID 1450242
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 3231852
N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1450501
[2-[(4-chlorophenyl)methoxy]phenyl]-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 122177129
1-(2,4-difluorobenzoyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55375404

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 1383858) is N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)C1CCC1.
What is the InChIKey of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is COSAKJYCVRDJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c24-18-7-2-1-6-17(18)22(29)27-11-10-16-12-15(8-9-20(16)27)19-13-30-23(25-19)26-21(28)14-4-3-5-14/h1-2,6-9,12-14H,3-5,10-11H2,(H,25,26,28).
What are the key properties of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 1383858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).