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

C22H25N5O3S — CID 92597872

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCc2ccc(-c3[nH]ncc3C(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C22H25N5O3S/c1-14-19(31-15(2)25-14)11-20(28)23-12-16-3-5-17(6-4-16)21-18(13-24-26-21)22(29)27-7-9-30-10-8-27/h3-6,13H,7-12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyRWMLXRYPEQHIRB-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.48
Rot. Bonds6

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

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide (PubChem CID 92597872) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide
PubChem CID92597872
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCc2ccc(-c3[nH]ncc3C(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C22H25N5O3S/c1-14-19(31-15(2)25-14)11-20(28)23-12-16-3-5-17(6-4-16)21-18(13-24-26-21)22(29)27-7-9-30-10-8-27/h3-6,13H,7-12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyRWMLXRYPEQHIRB-UHFFFAOYSA-N
XLogP2.48
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-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-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889200
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide
CID 71288595
N-[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]-2-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 155558659
N-ethyl-5-[4-[(2R)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889201
(3-Benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
CID 28334750
N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 92598532
5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide
CID 162650024
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70749568
3-(2,4-dimethylthiazol-5-yl)-N-(4-ethylbenzyl)-1H-pyrazole-5-carboxamide
CID 30848808
3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-[(2-methyl-1,3-thiazol-5-yl)carbonyl]piperidine
CID 70717739

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide (CID 92597872) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide is Cc1nc(C)c(CC(=O)NCc2ccc(-c3[nH]ncc3C(=O)N3CCOCC3)cc2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide?
The InChIKey is RWMLXRYPEQHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-14-19(31-15(2)25-14)11-20(28)23-12-16-3-5-17(6-4-16)21-18(13-24-26-21)22(29)27-7-9-30-10-8-27/h3-6,13H,7-12H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 92597872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).