2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine

C8H16N4S — CID 123502416

IUPAC2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine
SMILESCCc1cc(N(N)CCNC)sn1
InChIInChI=1S/C8H16N4S/c1-3-7-6-8(13-11-7)12(9)5-4-10-2/h6,10H,3-5,9H2,1-2H3
InChIKeyBCUQUBQPLKJLBR-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.61
Rot. Bonds5

About 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine

2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine (PubChem CID 123502416) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine.

Molecular Properties

Compound Name2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine
PubChem CID123502416
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine
SMILESCCc1cc(N(N)CCNC)sn1
InChIInChI=1S/C8H16N4S/c1-3-7-6-8(13-11-7)12(9)5-4-10-2/h6,10H,3-5,9H2,1-2H3
InChIKeyBCUQUBQPLKJLBR-UHFFFAOYSA-N
XLogP0.61
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine?
The IUPAC name of 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine (CID 123502416) is 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine.
What is the SMILES notation for 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine?
The canonical SMILES for 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine is CCc1cc(N(N)CCNC)sn1.
What is the InChIKey of 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine?
The InChIKey is BCUQUBQPLKJLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-3-7-6-8(13-11-7)12(9)5-4-10-2/h6,10H,3-5,9H2,1-2H3.
What are the key properties of 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine?
2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine has a molecular weight of 200.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(3-ethyl-1,2-thiazol-5-yl)amino]-N-methylethanamine is sourced from PubChem (CID 123502416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).