5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide

C10H19N5OS — CID 80619126

IUPAC5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1nnc(N)s1
InChIInChI=1S/C10H19N5OS/c1-10(2,6-15(3)4)5-12-7(16)8-13-14-9(11)17-8/h5-6H2,1-4H3,(H2,11,14)(H,12,16)
InChIKeyHCGFJTRGUWCZOW-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.44
Rot. Bonds5

About 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619126) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619126
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1nnc(N)s1
InChIInChI=1S/C10H19N5OS/c1-10(2,6-15(3)4)5-12-7(16)8-13-14-9(11)17-8/h5-6H2,1-4H3,(H2,11,14)(H,12,16)
InChIKeyHCGFJTRGUWCZOW-UHFFFAOYSA-N
XLogP0.44
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide (CID 80619126) is 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide is CN(C)CC(C)(C)CNC(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HCGFJTRGUWCZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-10(2,6-15(3)4)5-12-7(16)8-13-14-9(11)17-8/h5-6H2,1-4H3,(H2,11,14)(H,12,16).
What are the key properties of 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).