(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol

C11H14N2OS — CID 135044101

IUPAC(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESC[C@@H](O)[C@H]1CSC(Nc2ccccc2)=N1
InChIInChI=1S/C11H14N2OS/c1-8(14)10-7-15-11(13-10)12-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1
InChIKeyIHIPMPZREBGNDC-PSASIEDQSA-N
MW222.31 g/mol
LogP1.95
Rot. Bonds2

About (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol

(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol (PubChem CID 135044101) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol
PubChem CID135044101
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESC[C@@H](O)[C@H]1CSC(Nc2ccccc2)=N1
InChIInChI=1S/C11H14N2OS/c1-8(14)10-7-15-11(13-10)12-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1
InChIKeyIHIPMPZREBGNDC-PSASIEDQSA-N
XLogP1.95
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol (CID 135044101) is (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol is C[C@@H](O)[C@H]1CSC(Nc2ccccc2)=N1.
What is the InChIKey of (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The InChIKey is IHIPMPZREBGNDC-PSASIEDQSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(14)10-7-15-11(13-10)12-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1.
What are the key properties of (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol has a molecular weight of 222.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 135044101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).