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N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C21H24N4OS — CID 155550023

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C21H24N4OS/c1-15-12-19(25(24-15)18-10-6-3-7-11-18)23-20(26)13-17-14-27-21(22-17)16-8-4-2-5-9-16/h2,4-5,8-9,12,14,18H,3,6-7,10-11,13H2,1H3,(H,23,26)
InChIKeyTVEVLQJPYIITSD-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.00
Rot. Bonds5

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 155550023) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID155550023
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C21H24N4OS/c1-15-12-19(25(24-15)18-10-6-3-7-11-18)23-20(26)13-17-14-27-21(22-17)16-8-4-2-5-9-16/h2,4-5,8-9,12,14,18H,3,6-7,10-11,13H2,1H3,(H,23,26)
InChIKeyTVEVLQJPYIITSD-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 155550023) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is TVEVLQJPYIITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15-12-19(25(24-15)18-10-6-3-7-11-18)23-20(26)13-17-14-27-21(22-17)16-8-4-2-5-9-16/h2,4-5,8-9,12,14,18H,3,6-7,10-11,13H2,1H3,(H,23,26).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 380.52 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 155550023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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