N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H14N2S — CID 2404807

IUPACN-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(CCNC2=NCCS2)cc1
InChIInChI=1S/C11H14N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h1-5H,6-9H2,(H,12,13)
InChIKeyWMGJVTLPBGGVBQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.92
Rot. Bonds3

About N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2404807) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2404807
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(CCNC2=NCCS2)cc1
InChIInChI=1S/C11H14N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h1-5H,6-9H2,(H,12,13)
InChIKeyWMGJVTLPBGGVBQ-UHFFFAOYSA-N
XLogP1.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2404807) is N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine is c1ccc(CCNC2=NCCS2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WMGJVTLPBGGVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h1-5H,6-9H2,(H,12,13).
What are the key properties of N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2404807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).