4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C19H23FN4O2S — CID 72725459

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1nc(CCO)cs1)N1CCC(N2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C19H23FN4O2S/c20-14-2-1-13-3-9-24(17(13)11-14)16-4-7-23(8-5-16)19(26)22-18-21-15(6-10-25)12-27-18/h1-2,11-12,16,25H,3-10H2,(H,21,22,26)
InChIKeyOWPXLNCGSKKDQJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.88
Rot. Bonds4

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 72725459) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID72725459
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1nc(CCO)cs1)N1CCC(N2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C19H23FN4O2S/c20-14-2-1-13-3-9-24(17(13)11-14)16-4-7-23(8-5-16)19(26)22-18-21-15(6-10-25)12-27-18/h1-2,11-12,16,25H,3-10H2,(H,21,22,26)
InChIKeyOWPXLNCGSKKDQJ-UHFFFAOYSA-N
XLogP2.88
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-fluoroindolin-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)piperidine-1-carboxamide
CID 72725463
4-(6-fluoroindolin-1-yl)-N-(4-methylthiazol-2-yl)piperidine-1-carboxamide
CID 71657232
4-(2,3-dihydroindol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657335
4-(6-fluoroindolin-1-yl)-N-(4-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657340
4-(6-fluoroindolin-1-yl)-N-(5-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657341
4-(6-fluoroindolin-1-yl)-N-(5-(2-hydroxyethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657441
2-(4-(6-Fluoroindolin-1-yl)piperidine-1-carboxamido)thiazole-4-carboxamide
CID 71657442
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
2-(4-(6-fluoroindolin-1-yl)piperidine-1-carboxamido)-N-methylthiazole-4-carboxamide
CID 72725461

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 72725459) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1nc(CCO)cs1)N1CCC(N2CCc3ccc(F)cc32)CC1.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is OWPXLNCGSKKDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c20-14-2-1-13-3-9-24(17(13)11-14)16-4-7-23(8-5-16)19(26)22-18-21-15(6-10-25)12-27-18/h1-2,11-12,16,25H,3-10H2,(H,21,22,26).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.88, 4 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-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 72725459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).