4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

C7H14N2S — CID 3343566

IUPAC4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(N(C)C)=N1
InChIInChI=1S/C7H14N2S/c1-4-6-5-10-7(8-6)9(2)3/h6H,4-5H2,1-3H3
InChIKeyXUDSJTHNRKMXBF-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.43
Rot. Bonds1

About 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3343566) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3343566
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(N(C)C)=N1
InChIInChI=1S/C7H14N2S/c1-4-6-5-10-7(8-6)9(2)3/h6H,4-5H2,1-3H3
InChIKeyXUDSJTHNRKMXBF-UHFFFAOYSA-N
XLogP1.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 3343566) is 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(N(C)C)=N1.
What is the InChIKey of 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XUDSJTHNRKMXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-4-6-5-10-7(8-6)9(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 158.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3343566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).