2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C20H23N5OS2 — CID 1465904

IUPAC2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)s1
InChIInChI=1S/C20H23N5OS2/c1-2-17-24-25-20(28-17)22-16(26)12-27-19-14-10-6-7-11-15(14)21-18(23-19)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,25,26)
InChIKeyYOXMCTRHOFSCSD-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.82
Rot. Bonds6

About 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1465904) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1465904
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC Name2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)s1
InChIInChI=1S/C20H23N5OS2/c1-2-17-24-25-20(28-17)22-16(26)12-27-19-14-10-6-7-11-15(14)21-18(23-19)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,25,26)
InChIKeyYOXMCTRHOFSCSD-UHFFFAOYSA-N
XLogP4.82
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1465904) is 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)s1.
What is the InChIKey of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YOXMCTRHOFSCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS2/c1-2-17-24-25-20(28-17)22-16(26)12-27-19-14-10-6-7-11-15(14)21-18(23-19)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,25,26).
What are the key properties of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 413.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1465904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).