2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline

C10H11N3S — CID 82470144

IUPAC2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline
SMILESCc1nnc(-c2cccc(N)c2C)s1
InChIInChI=1S/C10H11N3S/c1-6-8(4-3-5-9(6)11)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3
InChIKeyKDSXIUDCLVZWIW-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.40
Rot. Bonds1

About 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline

2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline (PubChem CID 82470144) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline
PubChem CID82470144
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline
SMILESCc1nnc(-c2cccc(N)c2C)s1
InChIInChI=1S/C10H11N3S/c1-6-8(4-3-5-9(6)11)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3
InChIKeyKDSXIUDCLVZWIW-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline?
The IUPAC name of 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline (CID 82470144) is 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline?
The canonical SMILES for 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline is Cc1nnc(-c2cccc(N)c2C)s1.
What is the InChIKey of 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline?
The InChIKey is KDSXIUDCLVZWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-6-8(4-3-5-9(6)11)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3.
What are the key properties of 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline?
2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline has a molecular weight of 205.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline is sourced from PubChem (CID 82470144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).