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

C12H22N4OS — CID 115310485

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C12H22N4OS/c1-7(2)9-10(18-16-15-9)11(17)14-12(5,6-13)8(3)4/h7-8H,6,13H2,1-5H3,(H,14,17)
InChIKeyWLOZEKVWZCDRQE-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.76
Rot. Bonds5

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

N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 115310485) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID115310485
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C12H22N4OS/c1-7(2)9-10(18-16-15-9)11(17)14-12(5,6-13)8(3)4/h7-8H,6,13H2,1-5H3,(H,14,17)
InChIKeyWLOZEKVWZCDRQE-UHFFFAOYSA-N
XLogP1.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.76
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-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 115310485) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is WLOZEKVWZCDRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-7(2)9-10(18-16-15-9)11(17)14-12(5,6-13)8(3)4/h7-8H,6,13H2,1-5H3,(H,14,17).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.76, 5 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-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 115310485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).