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

C24H28N6O3S — CID 175437029

IUPACN-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=CC(c1ccc(N2CCCCC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1)C1CNCCO1
InChIInChI=1S/C24H28N6O3S/c31-14-18(22-13-25-6-9-33-22)16-4-5-21(30-7-2-1-3-8-30)19(10-16)28-23(32)20-15-34-24(29-20)17-11-26-27-12-17/h4-5,10-12,14-15,18,22,25H,1-3,6-9,13H2,(H,26,27)(H,28,32)
InChIKeyXHNOUMNPICPWNH-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.05
Rot. Bonds7

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

N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 175437029) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID175437029
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC NameN-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=CC(c1ccc(N2CCCCC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1)C1CNCCO1
InChIInChI=1S/C24H28N6O3S/c31-14-18(22-13-25-6-9-33-22)16-4-5-21(30-7-2-1-3-8-30)19(10-16)28-23(32)20-15-34-24(29-20)17-11-26-27-12-17/h4-5,10-12,14-15,18,22,25H,1-3,6-9,13H2,(H,26,27)(H,28,32)
InChIKeyXHNOUMNPICPWNH-UHFFFAOYSA-N
XLogP3.05
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175010825
N-[4-(2-morpholin-4-ylethylamino)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 137370909
N-(2-formyl-5-morpholin-4-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166778803
N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967895
N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 159960805
N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967892
N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 57334916
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25095743

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 175437029) is N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=CC(c1ccc(N2CCCCC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1)C1CNCCO1.
What is the InChIKey of N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XHNOUMNPICPWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c31-14-18(22-13-25-6-9-33-22)16-4-5-21(30-7-2-1-3-8-30)19(10-16)28-23(32)20-15-34-24(29-20)17-11-26-27-12-17/h4-5,10-12,14-15,18,22,25H,1-3,6-9,13H2,(H,26,27)(H,28,32).
What are the key properties of N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[5-(1-morpholin-2-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 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175437029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).