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

C11H14N2S — CID 2765799

IUPAC4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccccc2)=N1
InChIInChI=1S/C11H14N2S/c1-2-9-8-14-11(12-9)13-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13)
InChIKeyLOPXTRMPYUWBFN-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.98
Rot. Bonds2

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

4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2765799) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2765799
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccccc2)=N1
InChIInChI=1S/C11H14N2S/c1-2-9-8-14-11(12-9)13-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13)
InChIKeyLOPXTRMPYUWBFN-UHFFFAOYSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 2765799) is 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2ccccc2)=N1.
What is the InChIKey of 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LOPXTRMPYUWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-9-8-14-11(12-9)13-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2765799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).