2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide

C12H13N3OS — CID 23061891

IUPAC2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide
SMILESCC(Cc1ccc(-c2csnn2)cc1)C(N)=O
InChIInChI=1S/C12H13N3OS/c1-8(12(13)16)6-9-2-4-10(5-3-9)11-7-17-15-14-11/h2-5,7-8H,6H2,1H3,(H2,13,16)
InChIKeySCKZPROKXWWTIJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.87
Rot. Bonds4

About 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide

2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide (PubChem CID 23061891) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide
PubChem CID23061891
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide
SMILESCC(Cc1ccc(-c2csnn2)cc1)C(N)=O
InChIInChI=1S/C12H13N3OS/c1-8(12(13)16)6-9-2-4-10(5-3-9)11-7-17-15-14-11/h2-5,7-8H,6H2,1H3,(H2,13,16)
InChIKeySCKZPROKXWWTIJ-UHFFFAOYSA-N
XLogP1.87
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide (CID 23061891) is 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide is CC(Cc1ccc(-c2csnn2)cc1)C(N)=O.
What is the InChIKey of 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide?
The InChIKey is SCKZPROKXWWTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(12(13)16)6-9-2-4-10(5-3-9)11-7-17-15-14-11/h2-5,7-8H,6H2,1H3,(H2,13,16).
What are the key properties of 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide?
2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide has a molecular weight of 247.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 23061891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).