N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide

C13H17N3OS2 — CID 131920215

IUPACN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSC(C)C)cc2sc(N)nc12
InChIInChI=1S/C13H17N3OS2/c1-7(2)18-6-11(17)15-9-4-8(3)12-10(5-9)19-13(14)16-12/h4-5,7H,6H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyQSZOPVXBUDIWJP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.27
Rot. Bonds4

About N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide (PubChem CID 131920215) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide
PubChem CID131920215
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSC(C)C)cc2sc(N)nc12
InChIInChI=1S/C13H17N3OS2/c1-7(2)18-6-11(17)15-9-4-8(3)12-10(5-9)19-13(14)16-12/h4-5,7H,6H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyQSZOPVXBUDIWJP-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide (CID 131920215) is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide is Cc1cc(NC(=O)CSC(C)C)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is QSZOPVXBUDIWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-7(2)18-6-11(17)15-9-4-8(3)12-10(5-9)19-13(14)16-12/h4-5,7H,6H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide?
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 295.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 131920215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).