N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide

C16H17N5OS2 — CID 1442817

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nnc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)s1
InChIInChI=1S/C16H17N5OS2/c1-9(2)14-17-12-7-5-4-6-11(12)15(19-14)23-8-13(22)18-16-21-20-10(3)24-16/h4-7,9H,8H2,1-3H3,(H,18,21,22)
InChIKeyUDTGGEHYKCUCGD-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.64
Rot. Bonds5

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1442817) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID1442817
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nnc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)s1
InChIInChI=1S/C16H17N5OS2/c1-9(2)14-17-12-7-5-4-6-11(12)15(19-14)23-8-13(22)18-16-21-20-10(3)24-16/h4-7,9H,8H2,1-3H3,(H,18,21,22)
InChIKeyUDTGGEHYKCUCGD-UHFFFAOYSA-N
XLogP3.64
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide (CID 1442817) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide is Cc1nnc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is UDTGGEHYKCUCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-9(2)14-17-12-7-5-4-6-11(12)15(19-14)23-8-13(22)18-16-21-20-10(3)24-16/h4-7,9H,8H2,1-3H3,(H,18,21,22).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 359.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1442817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).