N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

C19H13Cl2N3OS3 — CID 16564281

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3nc(-c4cc(Cl)sc4Cl)cs3)cs2)c1
InChIInChI=1S/C19H13Cl2N3OS3/c1-10-3-2-4-11(5-10)18-22-12(8-26-18)6-16(25)24-19-23-14(9-27-19)13-7-15(20)28-17(13)21/h2-5,7-9H,6H2,1H3,(H,23,24,25)
InChIKeyKVZKJOQIBHHDSI-UHFFFAOYSA-N
MW466.44 g/mol
LogP6.79
Rot. Bonds5

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 16564281) has the molecular formula C19H13Cl2N3OS3 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID16564281
Molecular FormulaC19H13Cl2N3OS3
Molecular Weight466.44 g/mol
Exact Mass464.96
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3nc(-c4cc(Cl)sc4Cl)cs3)cs2)c1
InChIInChI=1S/C19H13Cl2N3OS3/c1-10-3-2-4-11(5-10)18-22-12(8-26-18)6-16(25)24-19-23-14(9-27-19)13-7-15(20)28-17(13)21/h2-5,7-9H,6H2,1H3,(H,23,24,25)
InChIKeyKVZKJOQIBHHDSI-UHFFFAOYSA-N
XLogP6.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.44
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17449852
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16557212
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151831
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587027
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
CID 4145582
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 8609952
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 16564281) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1cccc(-c2nc(CC(=O)Nc3nc(-c4cc(Cl)sc4Cl)cs3)cs2)c1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KVZKJOQIBHHDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3OS3/c1-10-3-2-4-11(5-10)18-22-12(8-26-18)6-16(25)24-19-23-14(9-27-19)13-7-15(20)28-17(13)21/h2-5,7-9H,6H2,1H3,(H,23,24,25).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 466.44 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16564281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).