2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide

C12H15BrN2OS — CID 15945177

IUPAC2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide
SMILESBr.Cc1cs/c(=N\c2ccccc2)n1CCO
InChIInChI=1S/C12H14N2OS.BrH/c1-10-9-16-12(14(10)7-8-15)13-11-5-3-2-4-6-11;/h2-6,9,15H,7-8H2,1H3;1H/b13-12-;
InChIKeyMOZVZGKFGHUQDN-USGGBSEESA-N
MW315.24 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide

2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide (PubChem CID 15945177) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide
PubChem CID15945177
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide
SMILESBr.Cc1cs/c(=N\c2ccccc2)n1CCO
InChIInChI=1S/C12H14N2OS.BrH/c1-10-9-16-12(14(10)7-8-15)13-11-5-3-2-4-6-11;/h2-6,9,15H,7-8H2,1H3;1H/b13-12-;
InChIKeyMOZVZGKFGHUQDN-USGGBSEESA-N
XLogP2.66
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

ethyl N-phenyl-4-morpholinecarbimidothioate
CID 18558755
3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 16196215
[3-Phenyl-2-(phenylazamethylene)-1,3-thiazolin-4-yl]methan-1-ol
CID 1537484
2-(4-phenyl-2-(phenylimino)-1,3-thiazol-3(2H)-yl)ethanol
CID 15945655
(E)-N-[(ethylthio)morpholinomethylene]aniline
CID 829622
(Z)-2-(2-(phenylimino)-4-(p-tolyl)thiazol-3(2H)-yl)ethanol
CID 695756
N-[(2E)-3-methyl-1,3-thiazolidin-2-ylidene]aniline
CID 4104812
N-(3,4-Dimethyl-2(3H)-thiazolylidene)benzenamine
CID 741663
(Z)-N-(3-butyl-4-methylthiazol-2(3H)-ylidene)aniline
CID 3458842
(Z)-3-(2-Hydroxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 21238625
2-(Dimethylamino)ethyl N-phenyl-4H-1,4-oxazine-4-carbimidothioate
CID 376072
(Z)-2-(4-phenyl-2-(phenylimino)thiazol-3(2H)-yl)ethanol
CID 829363

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide?
The IUPAC name of 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide (CID 15945177) is 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide is Br.Cc1cs/c(=N\c2ccccc2)n1CCO.
What is the InChIKey of 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide?
The InChIKey is MOZVZGKFGHUQDN-USGGBSEESA-N. The full InChI is InChI=1S/C12H14N2OS.BrH/c1-10-9-16-12(14(10)7-8-15)13-11-5-3-2-4-6-11;/h2-6,9,15H,7-8H2,1H3;1H/b13-12-;.
What are the key properties of 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide?
2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide has a molecular weight of 315.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide is sourced from PubChem (CID 15945177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).