[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

C24H31N5OS — CID 23611650

IUPAC[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2sc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)nc2C)CC1
InChIInChI=1S/C24H31N5OS/c1-6-27-11-13-28(14-12-27)23(30)22-18(4)25-24(31-22)29-19(5)21(17(3)26-29)15-20-9-7-16(2)8-10-20/h7-10H,6,11-15H2,1-5H3
InChIKeySISDXMBUHUEKNF-UHFFFAOYSA-N
MW437.61 g/mol
LogP3.93
Rot. Bonds5

About [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 23611650) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID23611650
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC Name[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2sc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)nc2C)CC1
InChIInChI=1S/C24H31N5OS/c1-6-27-11-13-28(14-12-27)23(30)22-18(4)25-24(31-22)29-19(5)21(17(3)26-29)15-20-9-7-16(2)8-10-20/h7-10H,6,11-15H2,1-5H3
InChIKeySISDXMBUHUEKNF-UHFFFAOYSA-N
XLogP3.93
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone 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

[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 46263582
2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611671
[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59337873
N-(3-acetylphenyl)-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611669
methyl 2-[[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetate
CID 23611683
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46263568
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86940940
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
(4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 30142487
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46263558
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanone
CID 24550779
N,N-diethyl-2-[4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
CID 30888615

Frequently Asked Questions

What is the IUPAC name of [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 23611650) is [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2sc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)nc2C)CC1.
What is the InChIKey of [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is SISDXMBUHUEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-6-27-11-13-28(14-12-27)23(30)22-18(4)25-24(31-22)29-19(5)21(17(3)26-29)15-20-9-7-16(2)8-10-20/h7-10H,6,11-15H2,1-5H3.
What are the key properties of [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 437.61 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 23611650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).