2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol

C16H22N2OS — CID 71017961

IUPAC2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol
SMILESCC(C)c1cs/c(=N\[C@@H](C)c2ccccc2)n1CCO
InChIInChI=1S/C16H22N2OS/c1-12(2)15-11-20-16(18(15)9-10-19)17-13(3)14-7-5-4-6-8-14/h4-8,11-13,19H,9-10H2,1-3H3/b17-16-/t13-/m0/s1
InChIKeyYVCNYIPHFPLWRN-WPCFGXOUSA-N
MW290.43 g/mol
LogP3.33
Rot. Bonds5

About 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol

2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol (PubChem CID 71017961) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol
PubChem CID71017961
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol
SMILESCC(C)c1cs/c(=N\[C@@H](C)c2ccccc2)n1CCO
InChIInChI=1S/C16H22N2OS/c1-12(2)15-11-20-16(18(15)9-10-19)17-13(3)14-7-5-4-6-8-14/h4-8,11-13,19H,9-10H2,1-3H3/b17-16-/t13-/m0/s1
InChIKeyYVCNYIPHFPLWRN-WPCFGXOUSA-N
XLogP3.33
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol (CID 71017961) is 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol is CC(C)c1cs/c(=N\[C@@H](C)c2ccccc2)n1CCO.
What is the InChIKey of 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol?
The InChIKey is YVCNYIPHFPLWRN-WPCFGXOUSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(2)15-11-20-16(18(15)9-10-19)17-13(3)14-7-5-4-6-8-14/h4-8,11-13,19H,9-10H2,1-3H3/b17-16-/t13-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol?
2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol has a molecular weight of 290.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 71017961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).