2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C21H23Cl2N5OS — CID 46493755

IUPAC2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCCN1CCc2nc(NC(=O)Cc3c(C)nn(-c4ccc(Cl)c(Cl)c4)c3C)sc2C1
InChIInChI=1S/C21H23Cl2N5OS/c1-4-27-8-7-18-19(11-27)30-21(24-18)25-20(29)10-15-12(2)26-28(13(15)3)14-5-6-16(22)17(23)9-14/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,24,25,29)
InChIKeyVANBFGFEWQPKBL-UHFFFAOYSA-N
MW464.42 g/mol
LogP4.81
Rot. Bonds5

About 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 46493755) has the molecular formula C21H23Cl2N5OS and a molecular weight of 464.42 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID46493755
Molecular FormulaC21H23Cl2N5OS
Molecular Weight464.42 g/mol
Exact Mass463.10
IUPAC Name2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCCN1CCc2nc(NC(=O)Cc3c(C)nn(-c4ccc(Cl)c(Cl)c4)c3C)sc2C1
InChIInChI=1S/C21H23Cl2N5OS/c1-4-27-8-7-18-19(11-27)30-21(24-18)25-20(29)10-15-12(2)26-28(13(15)3)14-5-6-16(22)17(23)9-14/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,24,25,29)
InChIKeyVANBFGFEWQPKBL-UHFFFAOYSA-N
XLogP4.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 55825787
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
2-(2,5-dimethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 78804088
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methylsulfonylphenyl)acetamide;hydrochloride
CID 44827099
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412541
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)propanamide
CID 29413371
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 47009951
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78772935
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 29413491
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 78772858

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 46493755) is 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CCN1CCc2nc(NC(=O)Cc3c(C)nn(-c4ccc(Cl)c(Cl)c4)c3C)sc2C1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is VANBFGFEWQPKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5OS/c1-4-27-8-7-18-19(11-27)30-21(24-18)25-20(29)10-15-12(2)26-28(13(15)3)14-5-6-16(22)17(23)9-14/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,24,25,29).
What are the key properties of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 464.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 46493755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).