2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide

C6H10N4OS — CID 62638921

IUPAC2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCNC(C)C(=O)Nc1nncs1
InChIInChI=1S/C6H10N4OS/c1-4(7-2)5(11)9-6-10-8-3-12-6/h3-4,7H,1-2H3,(H,9,10,11)
InChIKeyVOOFMMXCPAYDEG-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.08
Rot. Bonds3

About 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide

2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 62638921) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID62638921
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCNC(C)C(=O)Nc1nncs1
InChIInChI=1S/C6H10N4OS/c1-4(7-2)5(11)9-6-10-8-3-12-6/h3-4,7H,1-2H3,(H,9,10,11)
InChIKeyVOOFMMXCPAYDEG-UHFFFAOYSA-N
XLogP0.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 62638921) is 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide is CNC(C)C(=O)Nc1nncs1.
What is the InChIKey of 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is VOOFMMXCPAYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-4(7-2)5(11)9-6-10-8-3-12-6/h3-4,7H,1-2H3,(H,9,10,11).
What are the key properties of 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide?
2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 186.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 62638921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).