4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride

C10H11ClN2S — CID 13405872

IUPAC4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\scc(C)n1-c1ccccc1
InChIInChI=1S/C10H10N2S.ClH/c1-8-7-13-10(11)12(8)9-5-3-2-4-6-9;/h2-7,11H,1H3;1H/b11-10-;
InChIKeyLSWKCVRNWGMHDT-GMFCBQQYSA-N
MW226.73 g/mol
LogP2.75
Rot. Bonds1

About 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride

4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride (PubChem CID 13405872) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride.

Molecular Properties

Compound Name4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride
PubChem CID13405872
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\scc(C)n1-c1ccccc1
InChIInChI=1S/C10H10N2S.ClH/c1-8-7-13-10(11)12(8)9-5-3-2-4-6-9;/h2-7,11H,1H3;1H/b11-10-;
InChIKeyLSWKCVRNWGMHDT-GMFCBQQYSA-N
XLogP2.75
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-4-methyl-1,3-thiazol-2-imine
CID 1100270
3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 4658310
sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one
CID 24846822
4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride
CID 2806580
2-[(Z)-[(Z)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911200
3,4-bis(4-nitrophenyl)-1,3-thiazol-2-imine
CID 139218619
4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione
CID 902225
2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole
CID 71396512
2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 73352577
2,5-dimethyl-1-phenylimidazole;hydroiodide
CID 175442270
1-phenylpyrrole-2,5-diimine
CID 146710900
N-[[3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methyl]-2-methoxy-N-methylethanamine
CID 167458176

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride?
The IUPAC name of 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride (CID 13405872) is 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride.
What is the SMILES notation for 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride?
The canonical SMILES for 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride is Cl.[H]/N=c1\scc(C)n1-c1ccccc1.
What is the InChIKey of 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride?
The InChIKey is LSWKCVRNWGMHDT-GMFCBQQYSA-N. The full InChI is InChI=1S/C10H10N2S.ClH/c1-8-7-13-10(11)12(8)9-5-3-2-4-6-9;/h2-7,11H,1H3;1H/b11-10-;.
What are the key properties of 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride?
4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride has a molecular weight of 226.73 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride is sourced from PubChem (CID 13405872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).