4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide

C23H35N3O2S — CID 143281736

IUPAC4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(C2=NC(C)C(C(=O)NCCCN3CCCCC3C)S2)cc1
InChIInChI=1S/C23H35N3O2S/c1-4-16-28-20-11-9-19(10-12-20)23-25-18(3)21(29-23)22(27)24-13-7-15-26-14-6-5-8-17(26)2/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,24,27)
InChIKeyUPTHSYHLHYQSCB-UHFFFAOYSA-N
MW417.62 g/mol
LogP4.11
Rot. Bonds9

About 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide

4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 143281736) has the molecular formula C23H35N3O2S and a molecular weight of 417.62 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID143281736
Molecular FormulaC23H35N3O2S
Molecular Weight417.62 g/mol
Exact Mass417.24
IUPAC Name4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(C2=NC(C)C(C(=O)NCCCN3CCCCC3C)S2)cc1
InChIInChI=1S/C23H35N3O2S/c1-4-16-28-20-11-9-19(10-12-20)23-25-18(3)21(29-23)22(27)24-13-7-15-26-14-6-5-8-17(26)2/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,24,27)
InChIKeyUPTHSYHLHYQSCB-UHFFFAOYSA-N
XLogP4.11
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111371405
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
CID 100737614
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111839189
2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322
N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384778
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133246779
(2R)-2-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyheptanamide
CID 125061186
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 143281736) is 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide is CCCOc1ccc(C2=NC(C)C(C(=O)NCCCN3CCCCC3C)S2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is UPTHSYHLHYQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2S/c1-4-16-28-20-11-9-19(10-12-20)23-25-18(3)21(29-23)22(27)24-13-7-15-26-14-6-5-8-17(26)2/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,24,27).
What are the key properties of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide?
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 417.62 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(4-propoxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143281736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).