1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

C20H18N4O3S — CID 4776848

IUPAC1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(OCn2ccc(C(=O)Nc3nc4ccc(C)cc4s3)n2)cc1
InChIInChI=1S/C20H18N4O3S/c1-13-3-8-16-18(11-13)28-20(21-16)22-19(25)17-9-10-24(23-17)12-27-15-6-4-14(26-2)5-7-15/h3-11H,12H2,1-2H3,(H,21,22,25)
InChIKeyDZUVOHSDXPXRQR-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.10
Rot. Bonds6

About 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 4776848) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID4776848
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(OCn2ccc(C(=O)Nc3nc4ccc(C)cc4s3)n2)cc1
InChIInChI=1S/C20H18N4O3S/c1-13-3-8-16-18(11-13)28-20(21-16)22-19(25)17-9-10-24(23-17)12-27-15-6-4-14(26-2)5-7-15/h3-11H,12H2,1-2H3,(H,21,22,25)
InChIKeyDZUVOHSDXPXRQR-UHFFFAOYSA-N
XLogP4.10
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 17021915
N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19581726
1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 17021279
1-[(2-chlorophenoxy)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19265088
N-(6-bromo-1,3-benzothiazol-2-yl)-1-ethylpyrazole-3-carboxamide
CID 17168187
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273587
1-[(4-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4774579
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16955129
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-[(4-fluorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide
CID 95744924

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 4776848) is 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is COc1ccc(OCn2ccc(C(=O)Nc3nc4ccc(C)cc4s3)n2)cc1.
What is the InChIKey of 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is DZUVOHSDXPXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-13-3-8-16-18(11-13)28-20(21-16)22-19(25)17-9-10-24(23-17)12-27-15-6-4-14(26-2)5-7-15/h3-11H,12H2,1-2H3,(H,21,22,25).
What are the key properties of 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4776848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).