N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C26H25N3O3S — CID 142983144

IUPACN-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESC#CCCC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccc(O)cc3)cs2)CC1
InChIInChI=1S/C26H25N3O3S/c1-2-3-8-24(31)29-15-13-19(14-16-29)26-28-23(17-33-26)25(32)27-22-7-5-4-6-21(22)18-9-11-20(30)12-10-18/h1,4-7,9-12,17,19,30H,3,8,13-16H2,(H,27,32)
InChIKeyJDMMYAPQWZOMDV-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.89
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 142983144) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID142983144
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESC#CCCC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccc(O)cc3)cs2)CC1
InChIInChI=1S/C26H25N3O3S/c1-2-3-8-24(31)29-15-13-19(14-16-29)26-28-23(17-33-26)25(32)27-22-7-5-4-6-21(22)18-9-11-20(30)12-10-18/h1,4-7,9-12,17,19,30H,3,8,13-16H2,(H,27,32)
InChIKeyJDMMYAPQWZOMDV-UHFFFAOYSA-N
XLogP4.89
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209105
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209017
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209521
N-[2-(4-fluorophenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209865
N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209028
2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209919
N-[2-(4-ethylphenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209045
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71026014
N-[2-(4-ethylphenyl)phenyl]-2-[1-(prop-2-ynylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59210081
2-[1-[3-(2,3-dihydrothiophen-2-yl)propanoyl]piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70908044
N-[2-(4-ethylphenyl)phenyl]-2-[1-(2-ethylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209367

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 142983144) is N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is C#CCCC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccc(O)cc3)cs2)CC1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JDMMYAPQWZOMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-2-3-8-24(31)29-15-13-19(14-16-29)26-28-23(17-33-26)25(32)27-22-7-5-4-6-21(22)18-9-11-20(30)12-10-18/h1,4-7,9-12,17,19,30H,3,8,13-16H2,(H,27,32).
What are the key properties of N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 142983144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).