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

C14H14N4OS3 — CID 655769

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nc3ccccc3s2)s1
InChIInChI=1S/C14H14N4OS3/c1-8(2)12-17-18-13(22-12)16-11(19)7-20-14-15-9-5-3-4-6-10(9)21-14/h3-6,8H,7H2,1-2H3,(H,16,18,19)
InChIKeyHOJCDAVHXKQHGL-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.00
Rot. Bonds5

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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 655769) has the molecular formula C14H14N4OS3 and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID655769
Molecular FormulaC14H14N4OS3
Molecular Weight350.49 g/mol
Exact Mass350.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nc3ccccc3s2)s1
InChIInChI=1S/C14H14N4OS3/c1-8(2)12-17-18-13(22-12)16-11(19)7-20-14-15-9-5-3-4-6-10(9)21-14/h3-6,8H,7H2,1-2H3,(H,16,18,19)
InChIKeyHOJCDAVHXKQHGL-UHFFFAOYSA-N
XLogP4.00
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 655769) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2nc3ccccc3s2)s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HOJCDAVHXKQHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS3/c1-8(2)12-17-18-13(22-12)16-11(19)7-20-14-15-9-5-3-4-6-10(9)21-14/h3-6,8H,7H2,1-2H3,(H,16,18,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 350.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 655769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).