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

C11H16N4S2 — CID 79773872

IUPAC5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CCc2cnc(NC)s2)s1
InChIInChI=1S/C11H16N4S2/c1-3-13-11-15-7-9(17-11)5-4-8-6-14-10(12-2)16-8/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyGTEVIXPTWVIKAC-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.86
Rot. Bonds6

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

5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 79773872) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID79773872
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CCc2cnc(NC)s2)s1
InChIInChI=1S/C11H16N4S2/c1-3-13-11-15-7-9(17-11)5-4-8-6-14-10(12-2)16-8/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyGTEVIXPTWVIKAC-UHFFFAOYSA-N
XLogP2.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine (CID 79773872) is 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine is CCNc1ncc(CCc2cnc(NC)s2)s1.
What is the InChIKey of 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GTEVIXPTWVIKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-3-13-11-15-7-9(17-11)5-4-8-6-14-10(12-2)16-8/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine?
5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(ethylamino)-1,3-thiazol-5-yl]ethyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79773872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).