5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

C9H12N4S2 — CID 86782855

IUPAC5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2csc(C)n2)s1
InChIInChI=1S/C9H12N4S2/c1-3-8-12-13-9(15-8)10-4-7-5-14-6(2)11-7/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyHLOKAQZYZTWHKY-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.48
Rot. Bonds4

About 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 86782855) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID86782855
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2csc(C)n2)s1
InChIInChI=1S/C9H12N4S2/c1-3-8-12-13-9(15-8)10-4-7-5-14-6(2)11-7/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyHLOKAQZYZTWHKY-UHFFFAOYSA-N
XLogP2.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 86782855) is 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NCc2csc(C)n2)s1.
What is the InChIKey of 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HLOKAQZYZTWHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-3-8-12-13-9(15-8)10-4-7-5-14-6(2)11-7/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 240.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86782855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).