N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C17H16FN3O2S2 — CID 118618710

IUPACN-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(O)CC3)nc2s1
InChIInChI=1S/C17H16FN3O2S2/c18-10-1-3-11(4-2-10)19-15(23)13-9-14-16(24-13)20-17(25-14)21-7-5-12(22)6-8-21/h1-4,9,12,22H,5-8H2,(H,19,23)
InChIKeyGZWKYGKUWXTINU-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.71
Rot. Bonds3

About N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618710) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618710
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC NameN-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(O)CC3)nc2s1
InChIInChI=1S/C17H16FN3O2S2/c18-10-1-3-11(4-2-10)19-15(23)13-9-14-16(24-13)20-17(25-14)21-7-5-12(22)6-8-21/h1-4,9,12,22H,5-8H2,(H,19,23)
InChIKeyGZWKYGKUWXTINU-UHFFFAOYSA-N
XLogP3.71
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618374
N-(4-hydroxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618390
1-isobutyryl-N-(3-methoxybenzyl)-3,3-dimethylindoline-5-sulfonamide
CID 50841047
N-(3-Fluorophenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841045
N-(4-Fluoro-3-methylphenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841344
N-(4-Fluorophenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841046
N-(3,4-Difluorophenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841141
N-(5-Fluoro-2-methylphenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841220
N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618298
N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-[3-hydroxypropyl(methyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618305
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618316
N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618320

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618710) is N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(O)CC3)nc2s1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is GZWKYGKUWXTINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c18-10-1-3-11(4-2-10)19-15(23)13-9-14-16(24-13)20-17(25-14)21-7-5-12(22)6-8-21/h1-4,9,12,22H,5-8H2,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).