2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide

C7H12N4O3S2 — CID 3532872

IUPAC2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide
SMILESCC(C)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C
InChIInChI=1S/C7H12N4O3S2/c1-4(2)5(12)9-6-11(3)10-7(15-6)16(8,13)14/h4H,1-3H3,(H2,8,13,14)/b9-6-
InChIKeyIGVFFVJVOOBLGP-TWGQIWQCSA-N
MW264.33 g/mol
LogP-0.79
Rot. Bonds2

About 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide

2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide (PubChem CID 3532872) has the molecular formula C7H12N4O3S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide
PubChem CID3532872
Molecular FormulaC7H12N4O3S2
Molecular Weight264.33 g/mol
Exact Mass264.04
IUPAC Name2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide
SMILESCC(C)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C
InChIInChI=1S/C7H12N4O3S2/c1-4(2)5(12)9-6-11(3)10-7(15-6)16(8,13)14/h4H,1-3H3,(H2,8,13,14)/b9-6-
InChIKeyIGVFFVJVOOBLGP-TWGQIWQCSA-N
XLogP-0.79
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methazolamide
CID 4100
N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-3-sulfanylpropanamide
CID 23645369
Sodium methazolamide
CID 54725518
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide
CID 3313772
N-[3-methyl-5-(methylsulfamoyl)-1,3,4-thiadiazol-2-ylidene]acetamide
CID 68003072
CID 69966827
CID 69966827
CID 70501864
CID 70501864
N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide
CID 126705737
N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide
CID 126710601
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide
CID 137545889
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride
CID 140541911
N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide
CID 142271420

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide?
The IUPAC name of 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide (CID 3532872) is 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide?
The canonical SMILES for 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide is CC(C)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C.
What is the InChIKey of 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide?
The InChIKey is IGVFFVJVOOBLGP-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H12N4O3S2/c1-4(2)5(12)9-6-11(3)10-7(15-6)16(8,13)14/h4H,1-3H3,(H2,8,13,14)/b9-6-.
What are the key properties of 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide?
2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide has a molecular weight of 264.33 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide is sourced from PubChem (CID 3532872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).