2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol

C18H26N2OS — CID 25257601

IUPAC2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol
SMILESCCC(/N=c1\scc(C(C)(C)C)n1CCO)c1ccccc1
InChIInChI=1S/C18H26N2OS/c1-5-15(14-9-7-6-8-10-14)19-17-20(11-12-21)16(13-22-17)18(2,3)4/h6-10,13,15,21H,5,11-12H2,1-4H3/b19-17-
InChIKeyPZFSIKKOGSHSRF-ZPHPHTNESA-N
MW318.49 g/mol
LogP3.89
Rot. Bonds5

About 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol

2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol (PubChem CID 25257601) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol
PubChem CID25257601
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol
SMILESCCC(/N=c1\scc(C(C)(C)C)n1CCO)c1ccccc1
InChIInChI=1S/C18H26N2OS/c1-5-15(14-9-7-6-8-10-14)19-17-20(11-12-21)16(13-22-17)18(2,3)4/h6-10,13,15,21H,5,11-12H2,1-4H3/b19-17-
InChIKeyPZFSIKKOGSHSRF-ZPHPHTNESA-N
XLogP3.89
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol
CID 71017961
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489104
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
2-[4-(4-tert-butylphenyl)-2-(4-chlorophenyl)imino-1,3-thiazol-3-yl]ethanol
CID 138392602
(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
CID 114985501
2-(2-ethyl-5-phenylpyrrol-1-yl)ethanol
CID 22168753
2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol
CID 97031304
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
CID 62366190
4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine
CID 130693268
4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
CID 56972563
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63194001
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol (CID 25257601) is 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol is CCC(/N=c1\scc(C(C)(C)C)n1CCO)c1ccccc1.
What is the InChIKey of 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol?
The InChIKey is PZFSIKKOGSHSRF-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H26N2OS/c1-5-15(14-9-7-6-8-10-14)19-17-20(11-12-21)16(13-22-17)18(2,3)4/h6-10,13,15,21H,5,11-12H2,1-4H3/b19-17-.
What are the key properties of 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol?
2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol has a molecular weight of 318.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-(1-phenylpropylimino)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 25257601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).