2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide

C7H11N3OS2 — CID 130671631

IUPAC2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCSc1nsc(NC(=O)C(C)C)n1
InChIInChI=1S/C7H11N3OS2/c1-4(2)5(11)8-6-9-7(12-3)10-13-6/h4H,1-3H3,(H,8,9,10,11)
InChIKeyYKYVUFFPVDVPPR-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide

2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 130671631) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID130671631
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCSc1nsc(NC(=O)C(C)C)n1
InChIInChI=1S/C7H11N3OS2/c1-4(2)5(11)8-6-9-7(12-3)10-13-6/h4H,1-3H3,(H,8,9,10,11)
InChIKeyYKYVUFFPVDVPPR-UHFFFAOYSA-N
XLogP1.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 71968790
1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 125140786
1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 3765876
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2994551
3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
CID 71973961
3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 894653
1-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 154756033
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018748
2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 71973965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide (CID 130671631) is 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide is CSc1nsc(NC(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is YKYVUFFPVDVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-4(2)5(11)8-6-9-7(12-3)10-13-6/h4H,1-3H3,(H,8,9,10,11).
What are the key properties of 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 217.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 130671631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).