N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C18H21N3O2S — CID 52706888

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3nnc(C(C)(C)C)s3)coc2c1C
InChIInChI=1S/C18H21N3O2S/c1-10-6-7-13-12(9-23-15(13)11(10)2)8-14(22)19-17-21-20-16(24-17)18(3,4)5/h6-7,9H,8H2,1-5H3,(H,19,21,22)
InChIKeyRXVXBVBRAFXJCM-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.38
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 52706888) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID52706888
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3nnc(C(C)(C)C)s3)coc2c1C
InChIInChI=1S/C18H21N3O2S/c1-10-6-7-13-12(9-23-15(13)11(10)2)8-14(22)19-17-21-20-16(24-17)18(3,4)5/h6-7,9H,8H2,1-5H3,(H,19,21,22)
InChIKeyRXVXBVBRAFXJCM-UHFFFAOYSA-N
XLogP4.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 52706888) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3nnc(C(C)(C)C)s3)coc2c1C.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is RXVXBVBRAFXJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-10-6-7-13-12(9-23-15(13)11(10)2)8-14(22)19-17-21-20-16(24-17)18(3,4)5/h6-7,9H,8H2,1-5H3,(H,19,21,22).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 52706888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).