2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C18H20N4O2S — CID 50751015

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2csc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H20N4O2S/c1-12-8-13(2)22(21-12)18-20-15(11-25-18)9-17(23)19-10-14-4-6-16(24-3)7-5-14/h4-8,11H,9-10H2,1-3H3,(H,19,23)
InChIKeyGRUINNSGXLRHBA-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 50751015) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID50751015
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2csc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H20N4O2S/c1-12-8-13(2)22(21-12)18-20-15(11-25-18)9-17(23)19-10-14-4-6-16(24-3)7-5-14/h4-8,11H,9-10H2,1-3H3,(H,19,23)
InChIKeyGRUINNSGXLRHBA-UHFFFAOYSA-N
XLogP2.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 71802122
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 90570902
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 90570810
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 90570879
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90570891
2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole
CID 63810056
N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032612
3,4-dimethoxy-N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567995
ethyl 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethylamino]-4-oxobutanoate
CID 71802072
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
CID 71802075

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 50751015) is 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2csc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is GRUINNSGXLRHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-8-13(2)22(21-12)18-20-15(11-25-18)9-17(23)19-10-14-4-6-16(24-3)7-5-14/h4-8,11H,9-10H2,1-3H3,(H,19,23).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 356.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 50751015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).