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

C16H23N5OS — CID 17452875

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C16H23N5OS/c1-10-13(11(2)21(3)20-10)9-14(22)17-16-19-18-15(23-16)12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,17,19,22)
InChIKeyAWALPANVGQOHRW-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.12
Rot. Bonds4

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 17452875) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID17452875
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C16H23N5OS/c1-10-13(11(2)21(3)20-10)9-14(22)17-16-19-18-15(23-16)12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,17,19,22)
InChIKeyAWALPANVGQOHRW-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34052086
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756170
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
N-(1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 29370688
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 1402158
2-[5-[2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 6497825
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546386
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 3163430

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 17452875) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is AWALPANVGQOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-10-13(11(2)21(3)20-10)9-14(22)17-16-19-18-15(23-16)12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,17,19,22).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 17452875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).