4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

C21H25FN4O2S — CID 72725463

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CC(O)CC2)N1CCC(N2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C21H25FN4O2S/c22-14-2-1-13-5-10-26(18(13)11-14)15-6-8-25(9-7-15)21(28)24-20-23-17-4-3-16(27)12-19(17)29-20/h1-2,11,15-16,27H,3-10,12H2,(H,23,24,28)
InChIKeyTXZBQSYJXALDMY-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.19
Rot. Bonds2

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 72725463) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID72725463
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CC(O)CC2)N1CCC(N2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C21H25FN4O2S/c22-14-2-1-13-5-10-26(18(13)11-14)15-6-8-25(9-7-15)21(28)24-20-23-17-4-3-16(27)12-19(17)29-20/h1-2,11,15-16,27H,3-10,12H2,(H,23,24,28)
InChIKeyTXZBQSYJXALDMY-UHFFFAOYSA-N
XLogP3.19
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-fluoroindolin-1-yl)-N-(4-methylthiazol-2-yl)piperidine-1-carboxamide
CID 71657232
4-(6-fluoroindolin-1-yl)-N-(4-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657340
4-(6-fluoroindolin-1-yl)-N-(5-(2-hydroxyethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657441
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 71657443
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
CID 71657444
4-(6-fluoroindolin-1-yl)-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
CID 71657445
4-(6-fluoroindolin-1-yl)-N-(5-(2-hydroxyacetyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
CID 71657548
4-(6-fluoroindolin-1-yl)-N-(4-(2-hydroxyethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 72725459
Ethyl 2-(2-(4-(6-fluoroindolin-1-yl)piperidine-1-carboxamido)thiazol-4-yl)acetate
CID 89612750
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
CID 89626929
N-(5-acetyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoroindolin-1-yl)piperidine-1-carboxamide
CID 71657446
N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
CID 25052548

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 72725463) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nc2c(s1)CC(O)CC2)N1CCC(N2CCc3ccc(F)cc32)CC1.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is TXZBQSYJXALDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c22-14-2-1-13-5-10-26(18(13)11-14)15-6-8-25(9-7-15)21(28)24-20-23-17-4-3-16(27)12-19(17)29-20/h1-2,11,15-16,27H,3-10,12H2,(H,23,24,28).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 72725463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).