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

C20H24N4O2S — CID 122569283

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide
SMILESCCc1nc(C)sc1CNC(=O)c1ccc(-c2c(COC)n[nH]c2C)cc1
InChIInChI=1S/C20H24N4O2S/c1-5-16-18(27-13(3)22-16)10-21-20(25)15-8-6-14(7-9-15)19-12(2)23-24-17(19)11-26-4/h6-9H,5,10-11H2,1-4H3,(H,21,25)(H,23,24)
InChIKeyPGCKPEIPTDCASO-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.79
Rot. Bonds7

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

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide (PubChem CID 122569283) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide
PubChem CID122569283
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide
SMILESCCc1nc(C)sc1CNC(=O)c1ccc(-c2c(COC)n[nH]c2C)cc1
InChIInChI=1S/C20H24N4O2S/c1-5-16-18(27-13(3)22-16)10-21-20(25)15-8-6-14(7-9-15)19-12(2)23-24-17(19)11-26-4/h6-9H,5,10-11H2,1-4H3,(H,21,25)(H,23,24)
InChIKeyPGCKPEIPTDCASO-UHFFFAOYSA-N
XLogP3.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.79
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-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889157
Ethyl 5-[4-phenyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxylate
CID 46889159
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
ethyl 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 162654073
methyl 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 162655060
3-(2,4-dimethylthiazol-5-yl)-N-(4-ethylbenzyl)-1H-pyrazole-5-carboxamide
CID 30848808
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-[3-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 118270131
N-[3-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 118270535

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide (CID 122569283) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide is CCc1nc(C)sc1CNC(=O)c1ccc(-c2c(COC)n[nH]c2C)cc1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is PGCKPEIPTDCASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-5-16-18(27-13(3)22-16)10-21-20(25)15-8-6-14(7-9-15)19-12(2)23-24-17(19)11-26-4/h6-9H,5,10-11H2,1-4H3,(H,21,25)(H,23,24).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 384.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 122569283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).