2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide

C22H18ClFN4O3S — CID 25282155

IUPAC2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide
SMILESCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3Cl)n2)cc1OC
InChIInChI=1S/C22H18ClFN4O3S/c1-12-9-19(26-21(29)20-14(23)5-4-6-15(20)24)28(27-12)22-25-16(11-32-22)13-7-8-17(30-2)18(10-13)31-3/h4-11H,1-3H3,(H,26,29)
InChIKeyWZVMHYOLPPOOCX-UHFFFAOYSA-N
MW472.93 g/mol
LogP5.37
Rot. Bonds6

About 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide

2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide (PubChem CID 25282155) has the molecular formula C22H18ClFN4O3S and a molecular weight of 472.93 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide
PubChem CID25282155
Molecular FormulaC22H18ClFN4O3S
Molecular Weight472.93 g/mol
Exact Mass472.08
IUPAC Name2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide
SMILESCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3Cl)n2)cc1OC
InChIInChI=1S/C22H18ClFN4O3S/c1-12-9-19(26-21(29)20-14(23)5-4-6-15(20)24)28(27-12)22-25-16(11-32-22)13-7-8-17(30-2)18(10-13)31-3/h4-11H,1-3H3,(H,26,29)
InChIKeyWZVMHYOLPPOOCX-UHFFFAOYSA-N
XLogP5.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.93
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-6-fluorobenzamide
CID 51701110
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 25282145
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 25282198
2-chloro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
CID 25281972
2-chloro-6-fluoro-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 108731525
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
(E)-3-(3,4-dimethoxyphenyl)-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]prop-2-enamide
CID 25281736
3-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
CID 25281712
2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 108732661
N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide
CID 25282236
4-chloro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
CID 42109166

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide (CID 25282155) is 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide is COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3Cl)n2)cc1OC.
What is the InChIKey of 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide?
The InChIKey is WZVMHYOLPPOOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O3S/c1-12-9-19(26-21(29)20-14(23)5-4-6-15(20)24)28(27-12)22-25-16(11-32-22)13-7-8-17(30-2)18(10-13)31-3/h4-11H,1-3H3,(H,26,29).
What are the key properties of 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide?
2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide has a molecular weight of 472.93 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide is sourced from PubChem (CID 25282155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).