[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone

C32H39N5O2S — CID 3854794

IUPAC[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone
SMILESCCN(CC)c1ccc(-c2csc(C3CCN(C(=O)c4cc(OC)ccc4-c4c(C)nn(C)c4C)CC3)n2)cc1
InChIInChI=1S/C32H39N5O2S/c1-7-36(8-2)25-11-9-23(10-12-25)29-20-40-31(33-29)24-15-17-37(18-16-24)32(38)28-19-26(39-6)13-14-27(28)30-21(3)34-35(5)22(30)4/h9-14,19-20,24H,7-8,15-18H2,1-6H3
InChIKeyYYQMMWKKVQIARK-UHFFFAOYSA-N
MW557.76 g/mol
LogP6.70
Rot. Bonds8

About [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone

[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone (PubChem CID 3854794) has the molecular formula C32H39N5O2S and a molecular weight of 557.76 g/mol. Its IUPAC name is [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone
PubChem CID3854794
Molecular FormulaC32H39N5O2S
Molecular Weight557.76 g/mol
Exact Mass557.28
IUPAC Name[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone
SMILESCCN(CC)c1ccc(-c2csc(C3CCN(C(=O)c4cc(OC)ccc4-c4c(C)nn(C)c4C)CC3)n2)cc1
InChIInChI=1S/C32H39N5O2S/c1-7-36(8-2)25-11-9-23(10-12-25)29-20-40-31(33-29)24-15-17-37(18-16-24)32(38)28-19-26(39-6)13-14-27(28)30-21(3)34-35(5)22(30)4/h9-14,19-20,24H,7-8,15-18H2,1-6H3
InChIKeyYYQMMWKKVQIARK-UHFFFAOYSA-N
XLogP6.70
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.76
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]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

[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 3687006
[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(3-methoxy-2-nitrophenyl)methanone
CID 23933569
[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 3875562
[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 3865154
[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 3786153
1-[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 3445283
4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319327
2-[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]-3-(4-hydroxyphenyl)prop-2-enenitrile
CID 3857654
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3688431
(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75463147
2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 90919508
ethyl 1-[1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carbonyl]piperidine-4-carboxylate
CID 134082419

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone?
The IUPAC name of [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone (CID 3854794) is [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone is CCN(CC)c1ccc(-c2csc(C3CCN(C(=O)c4cc(OC)ccc4-c4c(C)nn(C)c4C)CC3)n2)cc1.
What is the InChIKey of [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone?
The InChIKey is YYQMMWKKVQIARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2S/c1-7-36(8-2)25-11-9-23(10-12-25)29-20-40-31(33-29)24-15-17-37(18-16-24)32(38)28-19-26(39-6)13-14-27(28)30-21(3)34-35(5)22(30)4/h9-14,19-20,24H,7-8,15-18H2,1-6H3.
What are the key properties of [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone?
[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone has a molecular weight of 557.76 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 3854794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).