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

C24H19ClFN3O2S2 — CID 140783713

IUPAC2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(C(=O)c4ccc(Cl)cc4)CC3)nc2s1
InChIInChI=1S/C24H19ClFN3O2S2/c25-16-3-1-14(2-4-16)21(30)15-9-11-29(12-10-15)24-28-23-20(33-24)13-19(32-23)22(31)27-18-7-5-17(26)6-8-18/h1-8,13,15H,9-12H2,(H,27,31)
InChIKeySETVNVQFMFRMJZ-UHFFFAOYSA-N
MW500.02 g/mol
LogP6.50
Rot. Bonds5

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

2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 140783713) has the molecular formula C24H19ClFN3O2S2 and a molecular weight of 500.02 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID140783713
Molecular FormulaC24H19ClFN3O2S2
Molecular Weight500.02 g/mol
Exact Mass499.06
IUPAC Name2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(C(=O)c4ccc(Cl)cc4)CC3)nc2s1
InChIInChI=1S/C24H19ClFN3O2S2/c25-16-3-1-14(2-4-16)21(30)15-9-11-29(12-10-15)24-28-23-20(33-24)13-19(32-23)22(31)27-18-7-5-17(26)6-8-18/h1-8,13,15H,9-12H2,(H,27,31)
InChIKeySETVNVQFMFRMJZ-UHFFFAOYSA-N
XLogP6.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.02
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(4-chlorobenzoyl)piperidin-1-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 155310625
N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783709
2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618713
N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618399
2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618803
N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618429
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400775
N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 155311084
[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone
CID 166321274
N-(6-chloro-3-pyridinyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609907
methyl 4-[[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609797

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 140783713) is 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(C(=O)c4ccc(Cl)cc4)CC3)nc2s1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is SETVNVQFMFRMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2S2/c25-16-3-1-14(2-4-16)21(30)15-9-11-29(12-10-15)24-28-23-20(33-24)13-19(32-23)22(31)27-18-7-5-17(26)6-8-18/h1-8,13,15H,9-12H2,(H,27,31).
What are the key properties of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 500.02 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 140783713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).