N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine

C12H13ClN2S — CID 2140684

IUPACN-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2S/c1-3-15-9(2)8-16-12(15)14-11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3/b14-12-
InChIKeyVXZWMMKRZSTTNP-OWBHPGMISA-N
MW252.77 g/mol
LogP3.76
Rot. Bonds2

About N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine

N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine (PubChem CID 2140684) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine
PubChem CID2140684
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC NameN-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2S/c1-3-15-9(2)8-16-12(15)14-11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3/b14-12-
InChIKeyVXZWMMKRZSTTNP-OWBHPGMISA-N
XLogP3.76
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

FORMAMIDINE, N'-(p-CHLOROPHENYL)-N,N-DIMETHYL-
CID 16419
2-[(2-Chlorophenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1377865
5-(3-chlorophenyl)imino-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide
CID 360560
methyl N'-(4-chlorophenyl)imidothiocarbamate hydroiodide
CID 2818221
1-(4-Chloro-phenyl)-2-ethyl-isothiourea; hydrochloride
CID 8775318
1-(3-Chloro-phenyl)-2-ethyl-isothiourea; hydrochloride
CID 10632442
ethyl N'-(2-chlorophenyl)carbamimidothioate
CID 10680179
N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
CID 4846651
3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 16196215
ethyl N'-(4-chlorophenyl)carbamimidothioate;hydrochloride
CID 45260398
N-(4-Chlorophenyl)-S-methylisothiourea hydroiodide
CID 2818222
propan-2-yl N-(4-chlorophenyl)-N'-ethylcarbamimidothioate
CID 44574696

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine (CID 2140684) is N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine is CCn1c(C)cs/c1=N\c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The InChIKey is VXZWMMKRZSTTNP-OWBHPGMISA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-3-15-9(2)8-16-12(15)14-11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3/b14-12-.
What are the key properties of N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine?
N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine has a molecular weight of 252.77 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-ethyl-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2140684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).