3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

C16H27N3OS — CID 4986684

IUPAC3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(C)(C)c1nnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C16H27N3OS/c1-4-16(2,3)14-18-19-15(21-14)17-13(20)11-10-12-8-6-5-7-9-12/h12H,4-11H2,1-3H3,(H,17,19,20)
InChIKeyLWGIXFDDDGEPQA-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.52
Rot. Bonds6

About 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 4986684) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID4986684
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(C)(C)c1nnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C16H27N3OS/c1-4-16(2,3)14-18-19-15(21-14)17-13(20)11-10-12-8-6-5-7-9-12/h12H,4-11H2,1-3H3,(H,17,19,20)
InChIKeyLWGIXFDDDGEPQA-UHFFFAOYSA-N
XLogP4.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (CID 4986684) is 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is CCC(C)(C)c1nnc(NC(=O)CCC2CCCCC2)s1.
What is the InChIKey of 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is LWGIXFDDDGEPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-16(2,3)14-18-19-15(21-14)17-13(20)11-10-12-8-6-5-7-9-12/h12H,4-11H2,1-3H3,(H,17,19,20).
What are the key properties of 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 309.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 4986684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).