(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide

C14H23N3OS — CID 769207

IUPAC(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
SMILESCCC[C@@H](C)C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C14H23N3OS/c1-3-7-10(2)12(18)15-14-17-16-13(19-14)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,15,17,18)/t10-/m1/s1
InChIKeyQUOSFWRFWKAFDT-SNVBAGLBSA-N
MW281.42 g/mol
LogP3.96
Rot. Bonds5

About (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide

(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide (PubChem CID 769207) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
PubChem CID769207
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
SMILESCCC[C@@H](C)C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C14H23N3OS/c1-3-7-10(2)12(18)15-14-17-16-13(19-14)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,15,17,18)/t10-/m1/s1
InChIKeyQUOSFWRFWKAFDT-SNVBAGLBSA-N
XLogP3.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide?
The IUPAC name of (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide (CID 769207) is (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide?
The canonical SMILES for (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide is CCC[C@@H](C)C(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide?
The InChIKey is QUOSFWRFWKAFDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-7-10(2)12(18)15-14-17-16-13(19-14)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,15,17,18)/t10-/m1/s1.
What are the key properties of (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide?
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide has a molecular weight of 281.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide is sourced from PubChem (CID 769207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).