5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C24H28N6O3S — CID 175918837

IUPAC5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cn[nH]c2)sc1-c1cc(CC(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C24H28N6O3S/c25-23(32)21-22(34-24(28-21)17-14-26-27-15-17)18-12-16(13-20(31)30-8-10-33-11-9-30)4-5-19(18)29-6-2-1-3-7-29/h4-5,12,14-15H,1-3,6-11,13H2,(H2,25,32)(H,26,27)
InChIKeyBWQSJDRILWKZEQ-UHFFFAOYSA-N
MW480.59 g/mol
LogP2.69
Rot. Bonds6

About 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 175918837) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID175918837
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cn[nH]c2)sc1-c1cc(CC(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C24H28N6O3S/c25-23(32)21-22(34-24(28-21)17-14-26-27-15-17)18-12-16(13-20(31)30-8-10-33-11-9-30)4-5-19(18)29-6-2-1-3-7-29/h4-5,12,14-15H,1-3,6-11,13H2,(H2,25,32)(H,26,27)
InChIKeyBWQSJDRILWKZEQ-UHFFFAOYSA-N
XLogP2.69
TPSA117.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175918857
5-[2-[4-(aminomethyl)phenyl]-4-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 71279076
CID 161011543
CID 161011543
3-[4-[methyl(2-morpholin-4-ylethyl)amino]-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 175918869
3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 175918801
N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137370580
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
[2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate
CID 90726135
N-[4-(2-morpholin-4-ylethylamino)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 137370909
N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137370804
2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 67517669

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 175918837) is 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2cn[nH]c2)sc1-c1cc(CC(=O)N2CCOCC2)ccc1N1CCCCC1.
What is the InChIKey of 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BWQSJDRILWKZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c25-23(32)21-22(34-24(28-21)17-14-26-27-15-17)18-12-16(13-20(31)30-8-10-33-11-9-30)4-5-19(18)29-6-2-1-3-7-29/h4-5,12,14-15H,1-3,6-11,13H2,(H2,25,32)(H,26,27).
What are the key properties of 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175918837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).