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

C8H10N4S2 — CID 107648389

IUPAC5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cncs2)s1
InChIInChI=1S/C8H10N4S2/c1-5(7-3-9-4-13-7)10-8-12-11-6(2)14-8/h3-5H,1-2H3,(H,10,12)
InChIKeyQWJMXWZEGGMSEM-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.48
Rot. Bonds3

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

5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648389) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648389
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cncs2)s1
InChIInChI=1S/C8H10N4S2/c1-5(7-3-9-4-13-7)10-8-12-11-6(2)14-8/h3-5H,1-2H3,(H,10,12)
InChIKeyQWJMXWZEGGMSEM-UHFFFAOYSA-N
XLogP2.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
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-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 107648389) is 5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)c2cncs2)s1.
What is the InChIKey of 5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QWJMXWZEGGMSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-5(7-3-9-4-13-7)10-8-12-11-6(2)14-8/h3-5H,1-2H3,(H,10,12).
What are the key properties of 5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 226.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).