N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

C21H29N5O2S — CID 22198602

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3nnc(C4CCCCC4)s3)CC2)cc1
InChIInChI=1S/C21H29N5O2S/c1-28-18-9-7-17(8-10-18)26-13-11-25(12-14-26)15-19(27)22-21-24-23-20(29-21)16-5-3-2-4-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,22,24,27)
InChIKeyWUYSLYVXQADADS-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.36
Rot. Bonds6

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 22198602) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID22198602
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3nnc(C4CCCCC4)s3)CC2)cc1
InChIInChI=1S/C21H29N5O2S/c1-28-18-9-7-17(8-10-18)26-13-11-25(12-14-26)15-19(27)22-21-24-23-20(29-21)16-5-3-2-4-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,22,24,27)
InChIKeyWUYSLYVXQADADS-UHFFFAOYSA-N
XLogP3.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195002
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 3212837
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 17019578
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 46951664
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
CID 46980807
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 94437071
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19633334

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 22198602) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)Nc3nnc(C4CCCCC4)s3)CC2)cc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is WUYSLYVXQADADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-28-18-9-7-17(8-10-18)26-13-11-25(12-14-26)15-19(27)22-21-24-23-20(29-21)16-5-3-2-4-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,22,24,27).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22198602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).