N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide

C6H8N4O3S2 — CID 126710601

IUPACN-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide
SMILESC=NS(=O)(=O)c1nn(C)/c(=N/C(C)=O)s1
InChIInChI=1S/C6H8N4O3S2/c1-4(11)8-5-10(3)9-6(14-5)15(12,13)7-2/h2H2,1,3H3/b8-5-
InChIKeyYGWGCYBFUDCTCG-YVMONPNESA-N
MW248.29 g/mol
LogP-0.68
Rot. Bonds2

About N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide

N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide (PubChem CID 126710601) has the molecular formula C6H8N4O3S2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide
PubChem CID126710601
Molecular FormulaC6H8N4O3S2
Molecular Weight248.29 g/mol
Exact Mass248.00
IUPAC NameN-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide
SMILESC=NS(=O)(=O)c1nn(C)/c(=N/C(C)=O)s1
InChIInChI=1S/C6H8N4O3S2/c1-4(11)8-5-10(3)9-6(14-5)15(12,13)7-2/h2H2,1,3H3/b8-5-
InChIKeyYGWGCYBFUDCTCG-YVMONPNESA-N
XLogP-0.68
TPSA93.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide (CID 126710601) is N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide is C=NS(=O)(=O)c1nn(C)/c(=N/C(C)=O)s1.
What is the InChIKey of N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide?
The InChIKey is YGWGCYBFUDCTCG-YVMONPNESA-N. The full InChI is InChI=1S/C6H8N4O3S2/c1-4(11)8-5-10(3)9-6(14-5)15(12,13)7-2/h2H2,1,3H3/b8-5-.
What are the key properties of N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide?
N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide has a molecular weight of 248.29 g/mol, XLogP of -0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(methylideneamino)sulfonyl-1,3,4-thiadiazol-2-ylidene]acetamide is sourced from PubChem (CID 126710601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).