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

C20H23N5OS — CID 155557767

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nnc(-c3ccccc3)s2)n(C2CCCCC2)n1
InChIInChI=1S/C20H23N5OS/c1-14-12-17(25(24-14)16-10-6-3-7-11-16)21-18(26)13-19-22-23-20(27-19)15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,21,26)
InChIKeyWIPPBNJCZKLWHN-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.40
Rot. Bonds5

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

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 155557767) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID155557767
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nnc(-c3ccccc3)s2)n(C2CCCCC2)n1
InChIInChI=1S/C20H23N5OS/c1-14-12-17(25(24-14)16-10-6-3-7-11-16)21-18(26)13-19-22-23-20(27-19)15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,21,26)
InChIKeyWIPPBNJCZKLWHN-UHFFFAOYSA-N
XLogP4.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 155557767) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(NC(=O)Cc2nnc(-c3ccccc3)s2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WIPPBNJCZKLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-12-17(25(24-14)16-10-6-3-7-11-16)21-18(26)13-19-22-23-20(27-19)15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,21,26).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 381.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 155557767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).