N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide

C15H17N3OS — CID 47472710

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cnns2)c2ccccc21
InChIInChI=1S/C15H17N3OS/c1-15(2)8-7-12(10-5-3-4-6-11(10)15)17-14(19)13-9-16-18-20-13/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)
InChIKeyACUKFEPQSTXURR-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.08
Rot. Bonds2

About N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide (PubChem CID 47472710) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide
PubChem CID47472710
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cnns2)c2ccccc21
InChIInChI=1S/C15H17N3OS/c1-15(2)8-7-12(10-5-3-4-6-11(10)15)17-14(19)13-9-16-18-20-13/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)
InChIKeyACUKFEPQSTXURR-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide 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-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide (CID 47472710) is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide is CC1(C)CCC(NC(=O)c2cnns2)c2ccccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide?
The InChIKey is ACUKFEPQSTXURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-15(2)8-7-12(10-5-3-4-6-11(10)15)17-14(19)13-9-16-18-20-13/h3-6,9,12H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide?
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47472710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).