N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine

C11H11ClN2S — CID 70608102

IUPACN-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine
SMILESCc1cc(Cl)ccc1/N=C1\N=CC(C)S1
InChIInChI=1S/C11H11ClN2S/c1-7-5-9(12)3-4-10(7)14-11-13-6-8(2)15-11/h3-6,8H,1-2H3/b14-11+
InChIKeyRMXIZOIAKGUJQH-SDNWHVSQSA-N
MW238.74 g/mol
LogP3.84
Rot. Bonds1

About N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine

N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine (PubChem CID 70608102) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine
PubChem CID70608102
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC NameN-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine
SMILESCc1cc(Cl)ccc1/N=C1\N=CC(C)S1
InChIInChI=1S/C11H11ClN2S/c1-7-5-9(12)3-4-10(7)14-11-13-6-8(2)15-11/h3-6,8H,1-2H3/b14-11+
InChIKeyRMXIZOIAKGUJQH-SDNWHVSQSA-N
XLogP3.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride
CID 21433368
4-chloro-N-(4-chloro-2-methylphenyl)dithiazol-5-imine
CID 1471255
methyl N-(4-chloro-2-methylphenyl)ethanimidothioate
CID 163694304
5-(4-chloro-2-methylphenyl)iminofuran-2-one
CID 12512017
N-(4-chloro-2-methylphenyl)butan-2-imine
CID 138749574
N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
CID 71436952
N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide
CID 114256582
2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine
CID 123539241
2-(4-chloro-2-methylphenyl)propan-2-amine
CID 82280968
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
benzyl-(4-chloro-2-methylphenyl)diazene
CID 54063455
2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40830577

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine (CID 70608102) is N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine is Cc1cc(Cl)ccc1/N=C1\N=CC(C)S1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine?
The InChIKey is RMXIZOIAKGUJQH-SDNWHVSQSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-5-9(12)3-4-10(7)14-11-13-6-8(2)15-11/h3-6,8H,1-2H3/b14-11+.
What are the key properties of N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine?
N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine has a molecular weight of 238.74 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine is sourced from PubChem (CID 70608102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).