4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide

C19H21N5O2S — CID 126463741

IUPAC4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(=O)Nc1cnn(-c2ccc(C(=O)NCCc3nc(C)c(C)s3)cc2)c1
InChIInChI=1S/C19H21N5O2S/c1-12-13(2)27-18(22-12)8-9-20-19(26)15-4-6-17(7-5-15)24-11-16(10-21-24)23-14(3)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,26)(H,23,25)
InChIKeyITZGGMREXLAOAW-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.88
Rot. Bonds6

About 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide

4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 126463741) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID126463741
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(=O)Nc1cnn(-c2ccc(C(=O)NCCc3nc(C)c(C)s3)cc2)c1
InChIInChI=1S/C19H21N5O2S/c1-12-13(2)27-18(22-12)8-9-20-19(26)15-4-6-17(7-5-15)24-11-16(10-21-24)23-14(3)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,26)(H,23,25)
InChIKeyITZGGMREXLAOAW-UHFFFAOYSA-N
XLogP2.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746492
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131949243
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449
5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120647219
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide
CID 53161673
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 97067073
3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 56870029

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 126463741) is 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide is CC(=O)Nc1cnn(-c2ccc(C(=O)NCCc3nc(C)c(C)s3)cc2)c1.
What is the InChIKey of 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is ITZGGMREXLAOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-13(2)27-18(22-12)8-9-20-19(26)15-4-6-17(7-5-15)24-11-16(10-21-24)23-14(3)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,26)(H,23,25).
What are the key properties of 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 383.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 126463741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).