N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C24H30N6OS — CID 89200200

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESC=CCCCN1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1
InChIInChI=1S/C24H30N6OS/c1-4-5-6-12-29-13-9-19(10-14-29)24-27-21(16-32-24)23(31)26-20-8-7-11-25-22(20)30-18(3)15-17(2)28-30/h4,7-8,11,15-16,19H,1,5-6,9-10,12-14H2,2-3H3,(H,26,31)
InChIKeyXBYUGKJRBZHWOP-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.74
Rot. Bonds8

About N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 89200200) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID89200200
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESC=CCCCN1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1
InChIInChI=1S/C24H30N6OS/c1-4-5-6-12-29-13-9-19(10-14-29)24-27-21(16-32-24)23(31)26-20-8-7-11-25-22(20)30-18(3)15-17(2)28-30/h4,7-8,11,15-16,19H,1,5-6,9-10,12-14H2,2-3H3,(H,26,31)
InChIKeyXBYUGKJRBZHWOP-UHFFFAOYSA-N
XLogP4.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59209211
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-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209796
N-(2-tert-butylphenyl)-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209177
2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209919
N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209028
N-[2-(4-aminophenyl)phenyl]-2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 89200240
N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209312
2-[1-(5-hydroxypentyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59210108
but-3-enyl 4-[4-[(2-piperidin-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59210334

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 89200200) is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is C=CCCCN1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XBYUGKJRBZHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6OS/c1-4-5-6-12-29-13-9-19(10-14-29)24-27-21(16-32-24)23(31)26-20-8-7-11-25-22(20)30-18(3)15-17(2)28-30/h4,7-8,11,15-16,19H,1,5-6,9-10,12-14H2,2-3H3,(H,26,31).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89200200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).