2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide

C19H22FN5O2S — CID 72725462

IUPAC2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1
InChIInChI=1S/C19H22FN5O2S/c1-21-17(26)16-11-22-18(28-16)23-19(27)24-7-5-14(6-8-24)25-9-4-12-2-3-13(20)10-15(12)25/h2-3,10-11,14H,4-9H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyYYJUXAKSVQHVLO-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.70
Rot. Bonds3

About 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide

2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 72725462) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID72725462
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC Name2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1
InChIInChI=1S/C19H22FN5O2S/c1-21-17(26)16-11-22-18(28-16)23-19(27)24-7-5-14(6-8-24)25-9-4-12-2-3-13(20)10-15(12)25/h2-3,10-11,14H,4-9H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyYYJUXAKSVQHVLO-UHFFFAOYSA-N
XLogP2.70
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

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CID 163368427
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
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US20240000767, Example 117
CID 162434999

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide (CID 72725462) is 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1.
What is the InChIKey of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YYJUXAKSVQHVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c1-21-17(26)16-11-22-18(28-16)23-19(27)24-7-5-14(6-8-24)25-9-4-12-2-3-13(20)10-15(12)25/h2-3,10-11,14H,4-9H2,1H3,(H,21,26)(H,22,23,27).
What are the key properties of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide?
2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72725462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).