4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine

C15H20N2S — CID 56972563

IUPAC4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2)n1CCC(C)C
InChIInChI=1S/C15H20N2S/c1-12(2)9-10-17-13(3)11-18-15(17)16-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b16-15-
InChIKeyRUNNSSHXVSHWST-NXVVXOECSA-N
MW260.41 g/mol
LogP4.14
Rot. Bonds4

About 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine

4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 56972563) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID56972563
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2)n1CCC(C)C
InChIInChI=1S/C15H20N2S/c1-12(2)9-10-17-13(3)11-18-15(17)16-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b16-15-
InChIKeyRUNNSSHXVSHWST-NXVVXOECSA-N
XLogP4.14
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine (CID 56972563) is 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccccc2)n1CCC(C)C.
What is the InChIKey of 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is RUNNSSHXVSHWST-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(2)9-10-17-13(3)11-18-15(17)16-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b16-15-.
What are the key properties of 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine?
4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 260.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 56972563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).