(1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine

C11H12N2S — CID 67715926

IUPAC(1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine
SMILESN[C@@H](C=C1CSC=N1)c1ccccc1
InChIInChI=1S/C11H12N2S/c12-11(6-10-7-14-8-13-10)9-4-2-1-3-5-9/h1-6,8,11H,7,12H2/t11-/m0/s1
InChIKeyUQFWZVPQLQWDRZ-NSHDSACASA-N
MW204.30 g/mol
LogP2.35
Rot. Bonds2

About (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine

(1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine (PubChem CID 67715926) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine
PubChem CID67715926
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name(1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine
SMILESN[C@@H](C=C1CSC=N1)c1ccccc1
InChIInChI=1S/C11H12N2S/c12-11(6-10-7-14-8-13-10)9-4-2-1-3-5-9/h1-6,8,11H,7,12H2/t11-/m0/s1
InChIKeyUQFWZVPQLQWDRZ-NSHDSACASA-N
XLogP2.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine?
The IUPAC name of (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine (CID 67715926) is (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine.
What is the SMILES notation for (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine?
The canonical SMILES for (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine is N[C@@H](C=C1CSC=N1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine?
The InChIKey is UQFWZVPQLQWDRZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H12N2S/c12-11(6-10-7-14-8-13-10)9-4-2-1-3-5-9/h1-6,8,11H,7,12H2/t11-/m0/s1.
What are the key properties of (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine?
(1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine has a molecular weight of 204.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-(1,3-thiazol-4-ylidene)ethanamine is sourced from PubChem (CID 67715926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).