2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide

C19H23N3OS2 — CID 99802369

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(C)c1nc2ccc(NC(=O)Cc3csc(C(C)(C)C)n3)cc2s1
InChIInChI=1S/C19H23N3OS2/c1-11(2)17-22-14-7-6-12(8-15(14)25-17)20-16(23)9-13-10-24-18(21-13)19(3,4)5/h6-8,10-11H,9H2,1-5H3,(H,20,23)
InChIKeyHZUAALGBMZYPAB-UHFFFAOYSA-N
MW373.55 g/mol
LogP5.35
Rot. Bonds4

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 99802369) has the molecular formula C19H23N3OS2 and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
PubChem CID99802369
Molecular FormulaC19H23N3OS2
Molecular Weight373.55 g/mol
Exact Mass373.13
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(C)c1nc2ccc(NC(=O)Cc3csc(C(C)(C)C)n3)cc2s1
InChIInChI=1S/C19H23N3OS2/c1-11(2)17-22-14-7-6-12(8-15(14)25-17)20-16(23)9-13-10-24-18(21-13)19(3,4)5/h6-8,10-11H,9H2,1-5H3,(H,20,23)
InChIKeyHZUAALGBMZYPAB-UHFFFAOYSA-N
XLogP5.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.55
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide (CID 99802369) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide is CC(C)c1nc2ccc(NC(=O)Cc3csc(C(C)(C)C)n3)cc2s1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is HZUAALGBMZYPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS2/c1-11(2)17-22-14-7-6-12(8-15(14)25-17)20-16(23)9-13-10-24-18(21-13)19(3,4)5/h6-8,10-11H,9H2,1-5H3,(H,20,23).
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 373.55 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 99802369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).