N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine

C15H12Cl2N2OS — CID 23876718

IUPACN-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(Cl)c(Cl)c2)n1Cc1ccco1
InChIInChI=1S/C15H12Cl2N2OS/c1-10-9-21-15(19(10)8-12-3-2-6-20-12)18-11-4-5-13(16)14(17)7-11/h2-7,9H,8H2,1H3/b18-15-
InChIKeyMCVYJTXFHJRNLY-SDXDJHTJSA-N
MW339.25 g/mol
LogP5.04
Rot. Bonds3

About N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine

N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine (PubChem CID 23876718) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
PubChem CID23876718
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC NameN-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(Cl)c(Cl)c2)n1Cc1ccco1
InChIInChI=1S/C15H12Cl2N2OS/c1-10-9-21-15(19(10)8-12-3-2-6-20-12)18-11-4-5-13(16)14(17)7-11/h2-7,9H,8H2,1H3/b18-15-
InChIKeyMCVYJTXFHJRNLY-SDXDJHTJSA-N
XLogP5.04
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
CID 23913461
3-(furan-2-ylmethyl)-4-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
CID 1227187
N-(4-chloro-3-fluorophenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23857350
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23856464
(E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine
CID 6347384
4-[(Z)-[(Z)-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]phenol
CID 136757593
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340
N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine
CID 23989805
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23737132
4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 1283764
4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23912501
N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23911708

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine (CID 23876718) is N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccc(Cl)c(Cl)c2)n1Cc1ccco1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The InChIKey is MCVYJTXFHJRNLY-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-10-9-21-15(19(10)8-12-3-2-6-20-12)18-11-4-5-13(16)14(17)7-11/h2-7,9H,8H2,1H3/b18-15-.
What are the key properties of N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine has a molecular weight of 339.25 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23876718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).