N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide

C10H18N4OS — CID 115310439

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C10H18N4OS/c1-6(2)10(4,5-11)12-9(15)8-7(3)13-14-16-8/h6H,5,11H2,1-4H3,(H,12,15)
InChIKeyNWTVVMYENCFRSS-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.95
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 115310439) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID115310439
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C10H18N4OS/c1-6(2)10(4,5-11)12-9(15)8-7(3)13-14-16-8/h6H,5,11H2,1-4H3,(H,12,15)
InChIKeyNWTVVMYENCFRSS-UHFFFAOYSA-N
XLogP0.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide (CID 115310439) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is NWTVVMYENCFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-6(2)10(4,5-11)12-9(15)8-7(3)13-14-16-8/h6H,5,11H2,1-4H3,(H,12,15).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 115310439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).