5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine

C9H17N3S — CID 46785712

IUPAC5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C)nc1C
InChIInChI=1S/C9H17N3S/c1-5-10-6-8-7(2)11-9(13-8)12(3)4/h10H,5-6H2,1-4H3
InChIKeyLBHQGDPMQXDXIJ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.63
Rot. Bonds4

About 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine

5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine (PubChem CID 46785712) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
PubChem CID46785712
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C)nc1C
InChIInChI=1S/C9H17N3S/c1-5-10-6-8-7(2)11-9(13-8)12(3)4/h10H,5-6H2,1-4H3
InChIKeyLBHQGDPMQXDXIJ-UHFFFAOYSA-N
XLogP1.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine (CID 46785712) is 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine is CCNCc1sc(N(C)C)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The InChIKey is LBHQGDPMQXDXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-5-10-6-8-7(2)11-9(13-8)12(3)4/h10H,5-6H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 46785712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).