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

C18H20N4OS — CID 126831793

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
SMILESCc1nc(-c2cccc(CNC(=O)Cc3c(C)n[nH]c3C)c2)cs1
InChIInChI=1S/C18H20N4OS/c1-11-16(12(2)22-21-11)8-18(23)19-9-14-5-4-6-15(7-14)17-10-24-13(3)20-17/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyDWEWYDJZASNIAF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.32
Rot. Bonds5

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide (PubChem CID 126831793) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
PubChem CID126831793
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
SMILESCc1nc(-c2cccc(CNC(=O)Cc3c(C)n[nH]c3C)c2)cs1
InChIInChI=1S/C18H20N4OS/c1-11-16(12(2)22-21-11)8-18(23)19-9-14-5-4-6-15(7-14)17-10-24-13(3)20-17/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyDWEWYDJZASNIAF-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
N-[(3-hydroxyphenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 71137212
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 126842029
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[(3-bromophenyl)methyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50834126
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride
CID 10776459
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide (CID 126831793) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide is Cc1nc(-c2cccc(CNC(=O)Cc3c(C)n[nH]c3C)c2)cs1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The InChIKey is DWEWYDJZASNIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-16(12(2)22-21-11)8-18(23)19-9-14-5-4-6-15(7-14)17-10-24-13(3)20-17/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 126831793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).