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

C6H11N3S — CID 65485043

IUPAC4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNCCc1csc(N)n1
InChIInChI=1S/C6H11N3S/c1-8-3-2-5-4-10-6(7)9-5/h4,8H,2-3H2,1H3,(H2,7,9)
InChIKeyCLBZNTVBUSTODR-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.49
Rot. Bonds3

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

4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 65485043) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID65485043
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNCCc1csc(N)n1
InChIInChI=1S/C6H11N3S/c1-8-3-2-5-4-10-6(7)9-5/h4,8H,2-3H2,1H3,(H2,7,9)
InChIKeyCLBZNTVBUSTODR-UHFFFAOYSA-N
XLogP0.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 65485043) is 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine is CNCCc1csc(N)n1.
What is the InChIKey of 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CLBZNTVBUSTODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-8-3-2-5-4-10-6(7)9-5/h4,8H,2-3H2,1H3,(H2,7,9).
What are the key properties of 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine?
4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 157.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65485043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).