1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol

C18H18N2O2S — CID 66561560

IUPAC1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1C(C)O
InChIInChI=1S/C18H18N2O2S/c1-12-17(13(2)21)23-18(19-12)20-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11,13,21H,1-2H3,(H,19,20)
InChIKeyRUVLIPXHIOLFFG-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.04
Rot. Bonds5

About 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol (PubChem CID 66561560) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol
PubChem CID66561560
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1C(C)O
InChIInChI=1S/C18H18N2O2S/c1-12-17(13(2)21)23-18(19-12)20-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11,13,21H,1-2H3,(H,19,20)
InChIKeyRUVLIPXHIOLFFG-UHFFFAOYSA-N
XLogP5.04
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 220926
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
CID 234497
2-(4-Methoxyphenylamino)thiazolo[4,5-B]pyridine-5,7-diol
CID 54696642
N*2*-(4-Methoxy-phenyl)-4'-methyl-[4,5']bithiazolyl-2,2'-diamine
CID 651724
N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 873121
1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea
CID 888504
4-(4-(2-Methoxyphenyl)thiazol-2-ylamino)phenol
CID 25100440
1-(4-Methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 741732
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
Cambridge id 5934061
CID 2877505

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol (CID 66561560) is 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol is Cc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol?
The InChIKey is RUVLIPXHIOLFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-17(13(2)21)23-18(19-12)20-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11,13,21H,1-2H3,(H,19,20).
What are the key properties of 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol has a molecular weight of 326.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 66561560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).