5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide

C8H13N5O2S — CID 106280130

IUPAC5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(CNC(=O)c1nnc(N)s1)C(N)=O
InChIInChI=1S/C8H13N5O2S/c1-8(2,6(9)15)3-11-4(14)5-12-13-7(10)16-5/h3H2,1-2H3,(H2,9,15)(H2,10,13)(H,11,14)
InChIKeyMISLKHGPKJPWNE-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.64
Rot. Bonds4

About 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106280130) has the molecular formula C8H13N5O2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID106280130
Molecular FormulaC8H13N5O2S
Molecular Weight243.29 g/mol
Exact Mass243.08
IUPAC Name5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(CNC(=O)c1nnc(N)s1)C(N)=O
InChIInChI=1S/C8H13N5O2S/c1-8(2,6(9)15)3-11-4(14)5-12-13-7(10)16-5/h3H2,1-2H3,(H2,9,15)(H2,10,13)(H,11,14)
InChIKeyMISLKHGPKJPWNE-UHFFFAOYSA-N
XLogP-0.64
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide (CID 106280130) is 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)(CNC(=O)c1nnc(N)s1)C(N)=O.
What is the InChIKey of 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MISLKHGPKJPWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S/c1-8(2,6(9)15)3-11-4(14)5-12-13-7(10)16-5/h3H2,1-2H3,(H2,9,15)(H2,10,13)(H,11,14).
What are the key properties of 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106280130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).