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

C18H20N4O2S — CID 117086707

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1nc(C(=O)NCCc2ccc(O)cc2)cs1
InChIInChI=1S/C18H20N4O2S/c1-11-16(12(2)22(3)21-11)18-20-15(10-25-18)17(24)19-9-8-13-4-6-14(23)7-5-13/h4-7,10,23H,8-9H2,1-3H3,(H,19,24)
InChIKeyBZKIFDQXAYUOKI-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-4-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 117086707) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID117086707
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-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1nc(C(=O)NCCc2ccc(O)cc2)cs1
InChIInChI=1S/C18H20N4O2S/c1-11-16(12(2)22(3)21-11)18-20-15(10-25-18)17(24)19-9-8-13-4-6-14(23)7-5-13/h4-7,10,23H,8-9H2,1-3H3,(H,19,24)
InChIKeyBZKIFDQXAYUOKI-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 117086707) is N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1nn(C)c(C)c1-c1nc(C(=O)NCCc2ccc(O)cc2)cs1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BZKIFDQXAYUOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-16(12(2)22(3)21-11)18-20-15(10-25-18)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-4-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-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-4-carboxamide is sourced from PubChem (CID 117086707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).