N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide

C20H17N5OS2 — CID 1155576

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C20H17N5OS2/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/h3-11H,2,12H2,1H3,(H,22,25,26)
InChIKeyOEGFSXCSCWEECE-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.44
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1155576) has the molecular formula C20H17N5OS2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
PubChem CID1155576
Molecular FormulaC20H17N5OS2
Molecular Weight407.52 g/mol
Exact Mass407.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C20H17N5OS2/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/h3-11H,2,12H2,1H3,(H,22,25,26)
InChIKeyOEGFSXCSCWEECE-UHFFFAOYSA-N
XLogP4.44
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide (CID 1155576) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide is CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is OEGFSXCSCWEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS2/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/h3-11H,2,12H2,1H3,(H,22,25,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 407.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1155576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).