but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

C24H28N6O3S — CID 59209211

IUPACbut-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESC=CCCOC(=O)N1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1
InChIInChI=1S/C24H28N6O3S/c1-4-5-13-33-24(32)29-11-8-18(9-12-29)23-27-20(15-34-23)22(31)26-19-7-6-10-25-21(19)30-17(3)14-16(2)28-30/h4,6-7,10,14-15,18H,1,5,8-9,11-13H2,2-3H3,(H,26,31)
InChIKeyBODIWBCKOFEGCP-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.49
Rot. Bonds7

About but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 59209211) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebut-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID59209211
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Namebut-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESC=CCCOC(=O)N1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1
InChIInChI=1S/C24H28N6O3S/c1-4-5-13-33-24(32)29-11-8-18(9-12-29)23-27-20(15-34-23)22(31)26-19-7-6-10-25-21(19)30-17(3)14-16(2)28-30/h4,6-7,10,14-15,18H,1,5,8-9,11-13H2,2-3H3,(H,26,31)
InChIKeyBODIWBCKOFEGCP-UHFFFAOYSA-N
XLogP4.49
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 89200200
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209796
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(ethylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209268
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209180
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209179
but-3-enyl 4-[4-[(2-piperidin-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59210334
2-methoxyethyl 4-[4-[(2-tert-butylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59210330
2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209919
butyl 4-[4-[[2-(4-ethylphenyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59209675
N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209028
butyl 4-[4-[[2-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59209500
N-(2-tert-butylphenyl)-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209177

Frequently Asked Questions

What is the IUPAC name of but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 59209211) is but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate is C=CCCOC(=O)N1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1.
What is the InChIKey of but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is BODIWBCKOFEGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-4-5-13-33-24(32)29-11-8-18(9-12-29)23-27-20(15-34-23)22(31)26-19-7-6-10-25-21(19)30-17(3)14-16(2)28-30/h4,6-7,10,14-15,18H,1,5,8-9,11-13H2,2-3H3,(H,26,31).
What are the key properties of but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?
but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 480.59 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59209211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).