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

C18H20FN5O2S — CID 72725460

IUPAC2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1
InChIInChI=1S/C18H20FN5O2S/c19-12-2-1-11-3-8-24(14(11)9-12)13-4-6-23(7-5-13)18(26)22-17-21-10-15(27-17)16(20)25/h1-2,9-10,13H,3-8H2,(H2,20,25)(H,21,22,26)
InChIKeyZAEWBOABWMCJCU-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.44
Rot. Bonds3

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

2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 72725460) has the molecular formula C18H20FN5O2S and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID72725460
Molecular FormulaC18H20FN5O2S
Molecular Weight389.46 g/mol
Exact Mass389.13
IUPAC Name2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1
InChIInChI=1S/C18H20FN5O2S/c19-12-2-1-11-3-8-24(14(11)9-12)13-4-6-23(7-5-13)18(26)22-17-21-10-15(27-17)16(20)25/h1-2,9-10,13H,3-8H2,(H2,20,25)(H,21,22,26)
InChIKeyZAEWBOABWMCJCU-UHFFFAOYSA-N
XLogP2.44
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Minzasolmin
CID 118279413
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657337
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
2-(4-(6-fluoroindolin-1-yl)piperidine-1-carboxamido)-N-methylthiazole-5-carboxamide
CID 72725462
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 163368404
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-fluorophenyl)acetamide
CID 163368427
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 163368458
US20240000767, Example 117
CID 162434999
2-(4-(6-fluoroindolin-1-yl)piperidine-1-carboxamido)-N-methylthiazole-4-carboxamide
CID 72725461
2-(1,3-dihydroisoindole-2-carbonylamino)-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 57509987

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 72725460) is 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide is NC(=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]-1,3-thiazole-5-carboxamide?
The InChIKey is ZAEWBOABWMCJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2S/c19-12-2-1-11-3-8-24(14(11)9-12)13-4-6-23(7-5-13)18(26)22-17-21-10-15(27-17)16(20)25/h1-2,9-10,13H,3-8H2,(H2,20,25)(H,21,22,26).
What are the key properties of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.44, 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]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72725460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).