N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide

C10H18N4OS — CID 65210536

IUPACN-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
SMILESCN(CCN)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C10H18N4OS/c1-10(2,3)8-7(16-13-12-8)9(15)14(4)6-5-11/h5-6,11H2,1-4H3
InChIKeyUQHSIVHMFUQOFG-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.87
Rot. Bonds3

About N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide

N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide (PubChem CID 65210536) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
PubChem CID65210536
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
SMILESCN(CCN)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C10H18N4OS/c1-10(2,3)8-7(16-13-12-8)9(15)14(4)6-5-11/h5-6,11H2,1-4H3
InChIKeyUQHSIVHMFUQOFG-UHFFFAOYSA-N
XLogP0.87
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide (CID 65210536) is N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide is CN(CCN)C(=O)c1snnc1C(C)(C)C.
What is the InChIKey of N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide?
The InChIKey is UQHSIVHMFUQOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-10(2,3)8-7(16-13-12-8)9(15)14(4)6-5-11/h5-6,11H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide?
N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65210536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).