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

C24H21ClFN3O2S2 — CID 118618616

IUPAC2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(COc4ccc(Cl)cc4)CC3)nc2s1
InChIInChI=1S/C24H21ClFN3O2S2/c25-16-1-7-19(8-2-16)31-14-15-9-11-29(12-10-15)24-28-23-21(33-24)13-20(32-23)22(30)27-18-5-3-17(26)4-6-18/h1-8,13,15H,9-12,14H2,(H,27,30)
InChIKeyOJPKERPRAUOOQG-UHFFFAOYSA-N
MW502.04 g/mol
LogP6.70
Rot. Bonds6

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

2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618616) has the molecular formula C24H21ClFN3O2S2 and a molecular weight of 502.04 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618616
Molecular FormulaC24H21ClFN3O2S2
Molecular Weight502.04 g/mol
Exact Mass501.07
IUPAC Name2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(COc4ccc(Cl)cc4)CC3)nc2s1
InChIInChI=1S/C24H21ClFN3O2S2/c25-16-1-7-19(8-2-16)31-14-15-9-11-29(12-10-15)24-28-23-21(33-24)13-20(32-23)22(30)27-18-5-3-17(26)4-6-18/h1-8,13,15H,9-12,14H2,(H,27,30)
InChIKeyOJPKERPRAUOOQG-UHFFFAOYSA-N
XLogP6.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.04
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-piperazin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618386
N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618399
N-(4-methoxyphenyl)-N-methyl-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618661
N-(4-methoxyphenyl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618662
Antitubercular agent-24
CID 118618757
2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618803
N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]-2-[2-hydroxyethyl(methyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618634
2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618719
2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618802
N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618833
2-[2-(4-chlorophenoxy)ethylamino]-N-[4-(6-fluoro-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783690
N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783696

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618616) is 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(COc4ccc(Cl)cc4)CC3)nc2s1.
What is the InChIKey of 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is OJPKERPRAUOOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O2S2/c25-16-1-7-19(8-2-16)31-14-15-9-11-29(12-10-15)24-28-23-21(33-24)13-20(32-23)22(30)27-18-5-3-17(26)4-6-18/h1-8,13,15H,9-12,14H2,(H,27,30).
What are the key properties of 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 502.04 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).