N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

C23H33N3O2S — CID 25373827

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2csc(C(C)C)n2)cc1
InChIInChI=1S/C23H33N3O2S/c1-17(2)22-24-21(16-29-22)23(27)26(15-19-9-12-25(3)13-10-19)14-11-18-5-7-20(28-4)8-6-18/h5-8,16-17,19H,9-15H2,1-4H3
InChIKeyCBAHHGSXTYBQNA-UHFFFAOYSA-N
MW415.60 g/mol
LogP4.30
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 25373827) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID25373827
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2csc(C(C)C)n2)cc1
InChIInChI=1S/C23H33N3O2S/c1-17(2)22-24-21(16-29-22)23(27)26(15-19-9-12-25(3)13-10-19)14-11-18-5-7-20(28-4)8-6-18/h5-8,16-17,19H,9-15H2,1-4H3
InChIKeyCBAHHGSXTYBQNA-UHFFFAOYSA-N
XLogP4.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide 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

4-cyano-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 72918434
4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 42526208
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 26399408
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 72866904
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 154900232
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120884448
N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86963371
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25289668
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 42461936
2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 72878220
2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45210338
2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 42098691

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 25373827) is N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2csc(C(C)C)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CBAHHGSXTYBQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-17(2)22-24-21(16-29-22)23(27)26(15-19-9-12-25(3)13-10-19)14-11-18-5-7-20(28-4)8-6-18/h5-8,16-17,19H,9-15H2,1-4H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 415.60 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25373827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).