2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide

C22H20N4O2S — CID 39696626

IUPAC2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)Nc3cccc(Cn4cccn4)c3)cs2)cc1
InChIInChI=1S/C22H20N4O2S/c1-16-6-8-19(9-7-16)28-14-21-25-20(15-29-21)22(27)24-18-5-2-4-17(12-18)13-26-11-3-10-23-26/h2-12,15H,13-14H2,1H3,(H,24,27)
InChIKeyRUIRVTOZMHXGRE-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.53
Rot. Bonds7

About 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide

2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 39696626) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID39696626
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)Nc3cccc(Cn4cccn4)c3)cs2)cc1
InChIInChI=1S/C22H20N4O2S/c1-16-6-8-19(9-7-16)28-14-21-25-20(15-29-21)22(27)24-18-5-2-4-17(12-18)13-26-11-3-10-23-26/h2-12,15H,13-14H2,1H3,(H,24,27)
InChIKeyRUIRVTOZMHXGRE-UHFFFAOYSA-N
XLogP4.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19505478
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46424038
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
1-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19275649
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
methyl 2-[[3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55727980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 39696626) is 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)Nc3cccc(Cn4cccn4)c3)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RUIRVTOZMHXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-16-6-8-19(9-7-16)28-14-21-25-20(15-29-21)22(27)24-18-5-2-4-17(12-18)13-26-11-3-10-23-26/h2-12,15H,13-14H2,1H3,(H,24,27).
What are the key properties of 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39696626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).