2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C14H14N4O2S2 — CID 6484284

IUPAC2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1
InChIInChI=1S/C14H14N4O2S2/c1-8(2)12-16-17-13(22-12)15-11(19)7-18-9-5-3-4-6-10(9)21-14(18)20/h3-6,8H,7H2,1-2H3,(H,15,17,19)
InChIKeyHSNUGESDEKWNQC-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6484284) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6484284
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1
InChIInChI=1S/C14H14N4O2S2/c1-8(2)12-16-17-13(22-12)15-11(19)7-18-9-5-3-4-6-10(9)21-14(18)20/h3-6,8H,7H2,1-2H3,(H,15,17,19)
InChIKeyHSNUGESDEKWNQC-UHFFFAOYSA-N
XLogP2.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 6484284) is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1.
What is the InChIKey of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HSNUGESDEKWNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-8(2)12-16-17-13(22-12)15-11(19)7-18-9-5-3-4-6-10(9)21-14(18)20/h3-6,8H,7H2,1-2H3,(H,15,17,19).
What are the key properties of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 334.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6484284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).