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

C20H23FN4O2S — CID 71657444

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)N1CCC(N2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C20H23FN4O2S/c21-14-2-1-13-3-9-25(17(13)11-14)15-4-7-24(8-5-15)20(26)23-19-22-16-6-10-27-12-18(16)28-19/h1-2,11,15H,3-10,12H2,(H,22,23,26)
InChIKeyVPMWEVOMGYIKLQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.41
Rot. Bonds2

About 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

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 (PubChem CID 71657444) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
PubChem CID71657444
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)N1CCC(N2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C20H23FN4O2S/c21-14-2-1-13-3-9-25(17(13)11-14)15-4-7-24(8-5-15)20(26)23-19-22-16-6-10-27-12-18(16)28-19/h1-2,11,15H,3-10,12H2,(H,22,23,26)
InChIKeyVPMWEVOMGYIKLQ-UHFFFAOYSA-N
XLogP3.41
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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-(6-fluoroindolin-1-yl)-N-(4-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657340
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 71657443
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
cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone
CID 166636003
Ethyl 2-(2-(4-(6-fluoroindolin-1-yl)piperidine-1-carboxamido)thiazol-4-yl)acetate
CID 89612750
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
CID 89626927
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1nc2c(s1)COCC2)N1CCC(N2CCc3ccc(F)cc32)CC1.
What is the InChIKey of 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?
The InChIKey is VPMWEVOMGYIKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c21-14-2-1-13-3-9-25(17(13)11-14)15-4-7-24(8-5-15)20(26)23-19-22-16-6-10-27-12-18(16)28-19/h1-2,11,15H,3-10,12H2,(H,22,23,26).
What are the key properties of 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?
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 has a molecular weight of 402.50 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71657444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).