N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide

C15H25N3OS — CID 890188

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide
SMILESCC(C)(C)c1nnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)13-17-18-14(20-13)16-12(19)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,16,18,19)
InChIKeyZZJNVPSJCIZJTK-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.13
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide (PubChem CID 890188) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide
PubChem CID890188
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide
SMILESCC(C)(C)c1nnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)13-17-18-14(20-13)16-12(19)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,16,18,19)
InChIKeyZZJNVPSJCIZJTK-UHFFFAOYSA-N
XLogP4.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide (CID 890188) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide is CC(C)(C)c1nnc(NC(=O)CCC2CCCCC2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide?
The InChIKey is ZZJNVPSJCIZJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,3)13-17-18-14(20-13)16-12(19)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,16,18,19).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide has a molecular weight of 295.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 890188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).