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

C23H26N6O3S — CID 175918857

IUPAC5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cn[nH]c2)sc1-c1ccc(C(=O)N2CCOCC2)cc1N1CCCCC1
InChIInChI=1S/C23H26N6O3S/c24-21(30)19-20(33-22(27-19)16-13-25-26-14-16)17-5-4-15(23(31)29-8-10-32-11-9-29)12-18(17)28-6-2-1-3-7-28/h4-5,12-14H,1-3,6-11H2,(H2,24,30)(H,25,26)
InChIKeyDTDMKQQLJXPOCN-UHFFFAOYSA-N
MW466.57 g/mol
LogP2.76
Rot. Bonds5

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

5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 175918857) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID175918857
Molecular FormulaC23H26N6O3S
Molecular Weight466.57 g/mol
Exact Mass466.18
IUPAC Name5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cn[nH]c2)sc1-c1ccc(C(=O)N2CCOCC2)cc1N1CCCCC1
InChIInChI=1S/C23H26N6O3S/c24-21(30)19-20(33-22(27-19)16-13-25-26-14-16)17-5-4-15(23(31)29-8-10-32-11-9-29)12-18(17)28-6-2-1-3-7-28/h4-5,12-14H,1-3,6-11H2,(H2,24,30)(H,25,26)
InChIKeyDTDMKQQLJXPOCN-UHFFFAOYSA-N
XLogP2.76
TPSA117.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175918837
3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 175918801
5-[2-[4-(aminomethyl)phenyl]-4-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 71279076
7-(morpholine-4-carbonyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 147925971
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095122
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
[8-(1H-pyrazol-4-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 58204032
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
3-[2,5-di(piperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 175712983
piperidin-1-yl-[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methanone
CID 74237335
N-[4-(2-morpholin-4-ylethylamino)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 137370909

Frequently Asked Questions

What is the IUPAC name of 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 175918857) is 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2cn[nH]c2)sc1-c1ccc(C(=O)N2CCOCC2)cc1N1CCCCC1.
What is the InChIKey of 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DTDMKQQLJXPOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c24-21(30)19-20(33-22(27-19)16-13-25-26-14-16)17-5-4-15(23(31)29-8-10-32-11-9-29)12-18(17)28-6-2-1-3-7-28/h4-5,12-14H,1-3,6-11H2,(H2,24,30)(H,25,26).
What are the key properties of 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175918857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).