N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide

C18H24N4O2S — CID 1300351

IUPACN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CC(C)(C)C)s2)c1
InChIInChI=1S/C18H24N4O2S/c1-11(2)15(23)19-13-8-6-7-12(9-13)16(24)20-17-22-21-14(25-17)10-18(3,4)5/h6-9,11H,10H2,1-5H3,(H,19,23)(H,20,22,24)
InChIKeyRZHJNILNYBEYNQ-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.97
Rot. Bonds5

About N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide (PubChem CID 1300351) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
PubChem CID1300351
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CC(C)(C)C)s2)c1
InChIInChI=1S/C18H24N4O2S/c1-11(2)15(23)19-13-8-6-7-12(9-13)16(24)20-17-22-21-14(25-17)10-18(3,4)5/h6-9,11H,10H2,1-5H3,(H,19,23)(H,20,22,24)
InChIKeyRZHJNILNYBEYNQ-UHFFFAOYSA-N
XLogP3.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide 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-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide (CID 1300351) is N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CC(C)(C)C)s2)c1.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide?
The InChIKey is RZHJNILNYBEYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-11(2)15(23)19-13-8-6-7-12(9-13)16(24)20-17-22-21-14(25-17)10-18(3,4)5/h6-9,11H,10H2,1-5H3,(H,19,23)(H,20,22,24).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide?
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 1300351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).