5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine

C8H15N3S — CID 18801628

IUPAC5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CN)s1
InChIInChI=1S/C8H15N3S/c1-3-11(4-2)8-10-6-7(5-9)12-8/h6H,3-5,9H2,1-2H3
InChIKeyAAFMKQQURIEQHF-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.45
Rot. Bonds4

About 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine

5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 18801628) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID18801628
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CN)s1
InChIInChI=1S/C8H15N3S/c1-3-11(4-2)8-10-6-7(5-9)12-8/h6H,3-5,9H2,1-2H3
InChIKeyAAFMKQQURIEQHF-UHFFFAOYSA-N
XLogP1.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine (CID 18801628) is 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is AAFMKQQURIEQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-11(4-2)8-10-6-7(5-9)12-8/h6H,3-5,9H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 18801628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).