N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide

C15H19N5O2S2 — CID 20551696

IUPACN-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCCCC1)C(=O)c1snnc1C
InChIInChI=1S/C15H19N5O2S2/c1-9-12(23-18-16-9)14(21)20(8-11-6-4-3-5-7-11)15(22)13-10(2)17-19-24-13/h11H,3-8H2,1-2H3
InChIKeySNKGRKUHSFESSQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.87
Rot. Bonds4

About N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide

N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide (PubChem CID 20551696) has the molecular formula C15H19N5O2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide
PubChem CID20551696
Molecular FormulaC15H19N5O2S2
Molecular Weight365.48 g/mol
Exact Mass365.10
IUPAC NameN-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCCCC1)C(=O)c1snnc1C
InChIInChI=1S/C15H19N5O2S2/c1-9-12(23-18-16-9)14(21)20(8-11-6-4-3-5-7-11)15(22)13-10(2)17-19-24-13/h11H,3-8H2,1-2H3
InChIKeySNKGRKUHSFESSQ-UHFFFAOYSA-N
XLogP2.87
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)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-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide (CID 20551696) is N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CC1CCCCC1)C(=O)c1snnc1C.
What is the InChIKey of N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide?
The InChIKey is SNKGRKUHSFESSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S2/c1-9-12(23-18-16-9)14(21)20(8-11-6-4-3-5-7-11)15(22)13-10(2)17-19-24-13/h11H,3-8H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide?
N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methyl-N-(4-methylthiadiazole-5-carbonyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 20551696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).