N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C24H23N3O5S — CID 16948052

IUPACN-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C24H23N3O5S/c1-13(28)14-5-4-6-16(9-14)25-23(30)19-7-8-20-21(19)26-24(33-20)27-22(29)15-10-17(31-2)12-18(11-15)32-3/h4-6,9-12,19H,7-8H2,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyCBJHKEVYDLJFSJ-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.28
Rot. Bonds7

About N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16948052) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16948052
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C24H23N3O5S/c1-13(28)14-5-4-6-16(9-14)25-23(30)19-7-8-20-21(19)26-24(33-20)27-22(29)15-10-17(31-2)12-18(11-15)32-3/h4-6,9-12,19H,7-8H2,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyCBJHKEVYDLJFSJ-UHFFFAOYSA-N
XLogP4.28
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948040
N-(4-bromo-3-methylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948081
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948070
N-cyclopropyl-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948102
N-(3,4-dimethylphenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947906
N-(3,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947900
N-(3-methoxyphenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945762
2-[(4-methoxybenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947873
2-benzamido-N-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947149
N-(2-amino-2-oxoethyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948121
2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947998
N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947892

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16948052) is N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is CBJHKEVYDLJFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-13(28)14-5-4-6-16(9-14)25-23(30)19-7-8-20-21(19)26-24(33-20)27-22(29)15-10-17(31-2)12-18(11-15)32-3/h4-6,9-12,19H,7-8H2,1-3H3,(H,25,30)(H,26,27,29).
What are the key properties of N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16948052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).