2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone

C11H11N3OS — CID 3053005

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone
SMILESCc1nnc(NCC(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N3OS/c1-8-13-14-11(16-8)12-7-10(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)
InChIKeyZJHDOYROHOPXHV-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.14
Rot. Bonds4

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone

2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone (PubChem CID 3053005) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone
PubChem CID3053005
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone
SMILESCc1nnc(NCC(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N3OS/c1-8-13-14-11(16-8)12-7-10(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)
InChIKeyZJHDOYROHOPXHV-UHFFFAOYSA-N
XLogP2.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone (CID 3053005) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone is Cc1nnc(NCC(=O)c2ccccc2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone?
The InChIKey is ZJHDOYROHOPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-13-14-11(16-8)12-7-10(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone has a molecular weight of 233.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone is sourced from PubChem (CID 3053005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).