N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide

C12H13N3OS2 — CID 555687

IUPACN-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESCc1nnc(SCC(=O)N(C)c2ccccc2)s1
InChIInChI=1S/C12H13N3OS2/c1-9-13-14-12(18-9)17-8-11(16)15(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyRVXNWAVDVSYJQP-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide

N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 555687) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID555687
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESCc1nnc(SCC(=O)N(C)c2ccccc2)s1
InChIInChI=1S/C12H13N3OS2/c1-9-13-14-12(18-9)17-8-11(16)15(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyRVXNWAVDVSYJQP-UHFFFAOYSA-N
XLogP2.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide (CID 555687) is N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide is Cc1nnc(SCC(=O)N(C)c2ccccc2)s1.
What is the InChIKey of N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is RVXNWAVDVSYJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-9-13-14-12(18-9)17-8-11(16)15(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide?
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 279.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 555687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).