N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide

C21H18N4OS — CID 46971236

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H18N4OS/c26-20(18-9-4-8-17(12-18)15-25-11-5-10-23-25)24-21-22-14-19(27-21)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,22,24,26)
InChIKeyYIUGUHVOGYGDFU-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.23
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 46971236) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID46971236
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H18N4OS/c26-20(18-9-4-8-17(12-18)15-25-11-5-10-23-25)24-21-22-14-19(27-21)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,22,24,26)
InChIKeyYIUGUHVOGYGDFU-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide (CID 46971236) is N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is YIUGUHVOGYGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c26-20(18-9-4-8-17(12-18)15-25-11-5-10-23-25)24-21-22-14-19(27-21)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,22,24,26).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46971236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).