4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide

C18H20N4O2S — CID 119064318

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide
SMILESCOCc1cc(CNC(=O)c2ccc(-c3sc(C)nc3C)cc2)[nH]n1
InChIInChI=1S/C18H20N4O2S/c1-11-17(25-12(2)20-11)13-4-6-14(7-5-13)18(23)19-9-15-8-16(10-24-3)22-21-15/h4-8H,9-10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyACYDMRVLLNCMAL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.23
Rot. Bonds6

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide (PubChem CID 119064318) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide
PubChem CID119064318
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide
SMILESCOCc1cc(CNC(=O)c2ccc(-c3sc(C)nc3C)cc2)[nH]n1
InChIInChI=1S/C18H20N4O2S/c1-11-17(25-12(2)20-11)13-4-6-14(7-5-13)18(23)19-9-15-8-16(10-24-3)22-21-15/h4-8H,9-10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyACYDMRVLLNCMAL-UHFFFAOYSA-N
XLogP3.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889104
ethyl 5-(2,4-diphenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889105
ethyl 5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889103
ethyl 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 162644427
3-(2,4-dimethylthiazol-5-yl)-N-(4-ethylbenzyl)-1H-pyrazole-5-carboxamide
CID 30848808
N-(4-methoxybenzyl)-3-(4-methyl-2-(p-tolyl)thiazol-5-yl)-1H-pyrazole-5-carboxamide
CID 45499256
N-(4-methoxybenzyl)-3-(4-methyl-2-(m-tolyl)thiazol-5-yl)-1H-pyrazole-5-carboxamide
CID 49658989
N-[3-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-1,3-thiazole-4-carboxamide
CID 118269790
N-(4-ethylbenzyl)-3-(2-(4-fluorophenyl)-4-methylthiazol-5-yl)-1H-pyrazole-5-carboxamide
CID 49673217
3-(2,4-dimethylthiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-5-carboxamide
CID 30848806
5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 44117499
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 56744209

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide (CID 119064318) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide is COCc1cc(CNC(=O)c2ccc(-c3sc(C)nc3C)cc2)[nH]n1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide?
The InChIKey is ACYDMRVLLNCMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-17(25-12(2)20-11)13-4-6-14(7-5-13)18(23)19-9-15-8-16(10-24-3)22-21-15/h4-8H,9-10H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide has a molecular weight of 356.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 119064318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).