N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C22H18ClN3O3S2 — CID 118618736

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2sc(N3CCOCC3)nc2s1
InChIInChI=1S/C22H18ClN3O3S2/c23-14-1-5-16(6-2-14)29-17-7-3-15(4-8-17)24-20(27)18-13-19-21(30-18)25-22(31-19)26-9-11-28-12-10-26/h1-8,13H,9-12H2,(H,24,27)
InChIKeyGKXAYWLJUAEDPB-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.89
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618736) has the molecular formula C22H18ClN3O3S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618736
Molecular FormulaC22H18ClN3O3S2
Molecular Weight471.99 g/mol
Exact Mass471.05
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2sc(N3CCOCC3)nc2s1
InChIInChI=1S/C22H18ClN3O3S2/c23-14-1-5-16(6-2-14)29-17-7-3-15(4-8-17)24-20(27)18-13-19-21(30-18)25-22(31-19)26-9-11-28-12-10-26/h1-8,13H,9-12H2,(H,24,27)
InChIKeyGKXAYWLJUAEDPB-UHFFFAOYSA-N
XLogP5.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-(dimethylamino)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618658
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
2-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618616
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618736) is N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2sc(N3CCOCC3)nc2s1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is GKXAYWLJUAEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S2/c23-14-1-5-16(6-2-14)29-17-7-3-15(4-8-17)24-20(27)18-13-19-21(30-18)25-22(31-19)26-9-11-28-12-10-26/h1-8,13H,9-12H2,(H,24,27).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).