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

C23H22N4O2S — CID 59489557

IUPACN-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCc3ccc(O)cc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H22N4O2S/c1-16-21(22(29)24-15-18-5-3-2-4-6-18)30-23(25-16)20-12-14-27(26-20)13-11-17-7-9-19(28)10-8-17/h2-10,12,14,28H,11,13,15H2,1H3,(H,24,29)
InChIKeyUGCNUNBCUZTXOW-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.19
Rot. Bonds7

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

N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59489557) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID59489557
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCc3ccc(O)cc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H22N4O2S/c1-16-21(22(29)24-15-18-5-3-2-4-6-18)30-23(25-16)20-12-14-27(26-20)13-11-17-7-9-19(28)10-8-17/h2-10,12,14,28H,11,13,15H2,1H3,(H,24,29)
InChIKeyUGCNUNBCUZTXOW-UHFFFAOYSA-N
XLogP4.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 59489557) is N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccn(CCc3ccc(O)cc3)n2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UGCNUNBCUZTXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-21(22(29)24-15-18-5-3-2-4-6-18)30-23(25-16)20-12-14-27(26-20)13-11-17-7-9-19(28)10-8-17/h2-10,12,14,28H,11,13,15H2,1H3,(H,24,29).
What are the key properties of N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[2-(4-hydroxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59489557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).