N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

C7H9ClN4O2S — CID 80619295

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(NC(=O)c1nnc(Cl)s1)C(N)=O
InChIInChI=1S/C7H9ClN4O2S/c1-7(2,5(9)14)10-3(13)4-11-12-6(8)15-4/h1-2H3,(H2,9,14)(H,10,13)
InChIKeyOBDWIJDNKVLTKZ-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.19
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619295) has the molecular formula C7H9ClN4O2S and a molecular weight of 248.69 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619295
Molecular FormulaC7H9ClN4O2S
Molecular Weight248.69 g/mol
Exact Mass248.01
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(NC(=O)c1nnc(Cl)s1)C(N)=O
InChIInChI=1S/C7H9ClN4O2S/c1-7(2,5(9)14)10-3(13)4-11-12-6(8)15-4/h1-2H3,(H2,9,14)(H,10,13)
InChIKeyOBDWIJDNKVLTKZ-UHFFFAOYSA-N
XLogP0.19
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.19
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-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80619295) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is CC(C)(NC(=O)c1nnc(Cl)s1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OBDWIJDNKVLTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2S/c1-7(2,5(9)14)10-3(13)4-11-12-6(8)15-4/h1-2H3,(H2,9,14)(H,10,13).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 248.69 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).