N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide

C7H12N4OS — CID 61464284

IUPACN-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
SMILESCNC(=O)C(C)NCc1csnn1
InChIInChI=1S/C7H12N4OS/c1-5(7(12)8-2)9-3-6-4-13-11-10-6/h4-5,9H,3H2,1-2H3,(H,8,12)
InChIKeyFRFVXLZUNKGBNZ-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.24
Rot. Bonds4

About N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide

N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide (PubChem CID 61464284) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
PubChem CID61464284
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
SMILESCNC(=O)C(C)NCc1csnn1
InChIInChI=1S/C7H12N4OS/c1-5(7(12)8-2)9-3-6-4-13-11-10-6/h4-5,9H,3H2,1-2H3,(H,8,12)
InChIKeyFRFVXLZUNKGBNZ-UHFFFAOYSA-N
XLogP-0.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide?
The IUPAC name of N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide (CID 61464284) is N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide?
The canonical SMILES for N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide is CNC(=O)C(C)NCc1csnn1.
What is the InChIKey of N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide?
The InChIKey is FRFVXLZUNKGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-5(7(12)8-2)9-3-6-4-13-11-10-6/h4-5,9H,3H2,1-2H3,(H,8,12).
What are the key properties of N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide?
N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide has a molecular weight of 200.27 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 61464284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).