2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide

C24H34N4O2S — CID 59210146

IUPAC2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)CN1CCC(c2nc(C(=O)Nc3ccccc3N3CCOCC3)cs2)CC1
InChIInChI=1S/C24H34N4O2S/c1-3-18(2)16-27-10-8-19(9-11-27)24-26-21(17-31-24)23(29)25-20-6-4-5-7-22(20)28-12-14-30-15-13-28/h4-7,17-19H,3,8-16H2,1-2H3,(H,25,29)
InChIKeyXDBSCPIOLFUUHX-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.46
Rot. Bonds7

About 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide

2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 59210146) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID59210146
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC Name2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)CN1CCC(c2nc(C(=O)Nc3ccccc3N3CCOCC3)cs2)CC1
InChIInChI=1S/C24H34N4O2S/c1-3-18(2)16-27-10-8-19(9-11-27)24-26-21(17-31-24)23(29)25-20-6-4-5-7-22(20)28-12-14-30-15-13-28/h4-7,17-19H,3,8-16H2,1-2H3,(H,25,29)
InChIKeyXDBSCPIOLFUUHX-UHFFFAOYSA-N
XLogP4.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-tert-butylphenyl)-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209425
N-(2-morpholin-4-ylphenyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3283646
N-(2-morpholin-4-ylphenyl)-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208629
2-[1-(3-cyclopropylpropanethioyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59210075
2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59209858
2-[1-[[4-(dimethylamino)phenyl]carbamothioyl]piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 3563251
2-(4-hexanoylcyclohexyl)-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71025985
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209829
N-(2-morpholin-4-ylphenyl)-2-[1-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59210323
2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 3283647
2-[1-(pentylcarbamoyl)piperidin-4-yl]-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59210136
2-[1-(2-ethylhexyl)piperidin-4-yl]-N-[2-(4-fluorophenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide (CID 59210146) is 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide is CCC(C)CN1CCC(c2nc(C(=O)Nc3ccccc3N3CCOCC3)cs2)CC1.
What is the InChIKey of 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XDBSCPIOLFUUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-3-18(2)16-27-10-8-19(9-11-27)24-26-21(17-31-24)23(29)25-20-6-4-5-7-22(20)28-12-14-30-15-13-28/h4-7,17-19H,3,8-16H2,1-2H3,(H,25,29).
What are the key properties of 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 442.63 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59210146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).