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

C8H11N5S2 — CID 79774822

IUPAC4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine
SMILESCNc1ncc(CCc2nnsc2N)s1
InChIInChI=1S/C8H11N5S2/c1-10-8-11-4-5(14-8)2-3-6-7(9)15-13-12-6/h4H,2-3,9H2,1H3,(H,10,11)
InChIKeyPTPOJJCAFGAHBE-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.40
Rot. Bonds4

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

4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine (PubChem CID 79774822) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine
PubChem CID79774822
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine
SMILESCNc1ncc(CCc2nnsc2N)s1
InChIInChI=1S/C8H11N5S2/c1-10-8-11-4-5(14-8)2-3-6-7(9)15-13-12-6/h4H,2-3,9H2,1H3,(H,10,11)
InChIKeyPTPOJJCAFGAHBE-UHFFFAOYSA-N
XLogP1.40
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine?
The IUPAC name of 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine (CID 79774822) is 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine is CNc1ncc(CCc2nnsc2N)s1.
What is the InChIKey of 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine?
The InChIKey is PTPOJJCAFGAHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-10-8-11-4-5(14-8)2-3-6-7(9)15-13-12-6/h4H,2-3,9H2,1H3,(H,10,11).
What are the key properties of 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine?
4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine has a molecular weight of 241.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]thiadiazol-5-amine is sourced from PubChem (CID 79774822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).