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

C15H13ClN2OS — CID 23913461

IUPACN-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(Cl)cc2)n1Cc1ccco1
InChIInChI=1S/C15H13ClN2OS/c1-11-10-20-15(17-13-6-4-12(16)5-7-13)18(11)9-14-3-2-8-19-14/h2-8,10H,9H2,1H3/b17-15-
InChIKeyFLPGOUHPKPGDOY-ICFOKQHNSA-N
MW304.80 g/mol
LogP4.39
Rot. Bonds3

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

N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine (PubChem CID 23913461) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
PubChem CID23913461
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(Cl)cc2)n1Cc1ccco1
InChIInChI=1S/C15H13ClN2OS/c1-11-10-20-15(17-13-6-4-12(16)5-7-13)18(11)9-14-3-2-8-19-14/h2-8,10H,9H2,1H3/b17-15-
InChIKeyFLPGOUHPKPGDOY-ICFOKQHNSA-N
XLogP4.39
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine (CID 23913461) is N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccc(Cl)cc2)n1Cc1ccco1.
What is the InChIKey of N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The InChIKey is FLPGOUHPKPGDOY-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-11-10-20-15(17-13-6-4-12(16)5-7-13)18(11)9-14-3-2-8-19-14/h2-8,10H,9H2,1H3/b17-15-.
What are the key properties of N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine has a molecular weight of 304.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23913461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).