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

C20H25BrN4O2S — CID 137370782

IUPAC2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1N1CCCCC1)c1csc(Br)n1
InChIInChI=1S/C20H25BrN4O2S/c21-20-23-17(14-28-20)19(26)22-16-5-4-15(13-24-8-10-27-11-9-24)12-18(16)25-6-2-1-3-7-25/h4-5,12,14H,1-3,6-11,13H2,(H,22,26)
InChIKeySZPZAUBHOZCVLG-UHFFFAOYSA-N
MW465.42 g/mol
LogP3.98
Rot. Bonds5

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

2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 137370782) has the molecular formula C20H25BrN4O2S and a molecular weight of 465.42 g/mol. Its IUPAC name is 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide
PubChem CID137370782
Molecular FormulaC20H25BrN4O2S
Molecular Weight465.42 g/mol
Exact Mass464.09
IUPAC Name2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1N1CCCCC1)c1csc(Br)n1
InChIInChI=1S/C20H25BrN4O2S/c21-20-23-17(14-28-20)19(26)22-16-5-4-15(13-24-8-10-27-11-9-24)12-18(16)25-6-2-1-3-7-25/h4-5,12,14H,1-3,6-11,13H2,(H,22,26)
InChIKeySZPZAUBHOZCVLG-UHFFFAOYSA-N
XLogP3.98
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(oxan-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)phenyl]-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 90291580
N-[4-(2-morpholin-4-ylethylamino)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 137370909
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137370580
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 67528455
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-2-bromo-1,3-thiazole-4-carboxamide
CID 67269983
1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 11718559
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-(2-morpholin-4-ylphenyl)-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208629

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide (CID 137370782) is 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1N1CCCCC1)c1csc(Br)n1.
What is the InChIKey of 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SZPZAUBHOZCVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O2S/c21-20-23-17(14-28-20)19(26)22-16-5-4-15(13-24-8-10-27-11-9-24)12-18(16)25-6-2-1-3-7-25/h4-5,12,14H,1-3,6-11,13H2,(H,22,26).
What are the key properties of 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide?
2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 465.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137370782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).