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

C19H22FN5O2S — CID 72725461

IUPAC2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)n1
InChIInChI=1S/C19H22FN5O2S/c1-21-17(26)15-11-28-18(22-15)23-19(27)24-7-5-14(6-8-24)25-9-4-12-2-3-13(20)10-16(12)25/h2-3,10-11,14H,4-9H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyPDCACPNCQCDPLU-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-4-carboxamide

2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 72725461) 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-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID72725461
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-4-carboxamide
SMILESCNC(=O)c1csc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)n1
InChIInChI=1S/C19H22FN5O2S/c1-21-17(26)15-11-28-18(22-15)23-19(27)24-7-5-14(6-8-24)25-9-4-12-2-3-13(20)10-16(12)25/h2-3,10-11,14H,4-9H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyPDCACPNCQCDPLU-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-4-carboxamide with MolForge

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Related Compounds

[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
2-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956256
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
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
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
(2,3-Dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
CID 71818431
4-(6-fluoroindolin-1-yl)-N-(4-(2-hydroxyethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 72725459
2-[[4-(6-Fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 72725460

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-4-carboxamide?
The IUPAC name of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-4-carboxamide (CID 72725461) is 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-4-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-4-carboxamide?
The canonical SMILES for 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)n1.
What is the InChIKey of 2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PDCACPNCQCDPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c1-21-17(26)15-11-28-18(22-15)23-19(27)24-7-5-14(6-8-24)25-9-4-12-2-3-13(20)10-16(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-4-carboxamide?
2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-N-methyl-1,3-thiazole-4-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-4-carboxamide is sourced from PubChem (CID 72725461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).