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

C17H18N4OS2 — CID 1442810

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCc1csc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)n1
InChIInChI=1S/C17H18N4OS2/c1-10(2)15-19-13-7-5-4-6-12(13)16(21-15)23-9-14(22)20-17-18-11(3)8-24-17/h4-8,10H,9H2,1-3H3,(H,18,20,22)
InChIKeyOEJSGWNYBKFOOU-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.25
Rot. Bonds5

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

N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1442810) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID1442810
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCc1csc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)n1
InChIInChI=1S/C17H18N4OS2/c1-10(2)15-19-13-7-5-4-6-12(13)16(21-15)23-9-14(22)20-17-18-11(3)8-24-17/h4-8,10H,9H2,1-3H3,(H,18,20,22)
InChIKeyOEJSGWNYBKFOOU-UHFFFAOYSA-N
XLogP4.25
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide (CID 1442810) is N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide is Cc1csc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is OEJSGWNYBKFOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-10(2)15-19-13-7-5-4-6-12(13)16(21-15)23-9-14(22)20-17-18-11(3)8-24-17/h4-8,10H,9H2,1-3H3,(H,18,20,22).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 358.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1442810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).