N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C18H20N4O2S — CID 117085193

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C18H20N4O2S/c1-11-16(12(2)22(3)21-11)18-20-10-15(25-18)17(24)19-9-8-13-4-6-14(23)7-5-13/h4-7,10,23H,8-9H2,1-3H3,(H,19,24)
InChIKeyRGPLJWUZCJHZMZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117085193) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID117085193
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C18H20N4O2S/c1-11-16(12(2)22(3)21-11)18-20-10-15(25-18)17(24)19-9-8-13-4-6-14(23)7-5-13/h4-7,10,23H,8-9H2,1-3H3,(H,19,24)
InChIKeyRGPLJWUZCJHZMZ-UHFFFAOYSA-N
XLogP2.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(1,3-thiazol-2-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazole-4-carboxamide
CID 140296556
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111118089
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111118089
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111566107
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111566107
N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 162600085
N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 162600085
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117082813
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide
CID 117084654
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide
CID 117084654
N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 117086707
N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117087650

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 117085193) is N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nn(C)c(C)c1-c1ncc(C(=O)NCCc2ccc(O)cc2)s1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is RGPLJWUZCJHZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-16(12(2)22(3)21-11)18-20-10-15(25-18)17(24)19-9-8-13-4-6-14(23)7-5-13/h4-7,10,23H,8-9H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117085193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).