4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline

C14H17N3S — CID 3299411

IUPAC4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline
SMILESCc1nc(N=Cc2ccc(N(C)C)cc2)sc1C
InChIInChI=1S/C14H17N3S/c1-10-11(2)18-14(16-10)15-9-12-5-7-13(8-6-12)17(3)4/h5-9H,1-4H3
InChIKeyHNVDSJNFEFUMMS-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.58
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline

4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline (PubChem CID 3299411) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline
PubChem CID3299411
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline
SMILESCc1nc(N=Cc2ccc(N(C)C)cc2)sc1C
InChIInChI=1S/C14H17N3S/c1-10-11(2)18-14(16-10)15-9-12-5-7-13(8-6-12)17(3)4/h5-9H,1-4H3
InChIKeyHNVDSJNFEFUMMS-UHFFFAOYSA-N
XLogP3.58
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline (CID 3299411) is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline is Cc1nc(N=Cc2ccc(N(C)C)cc2)sc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline?
The InChIKey is HNVDSJNFEFUMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-11(2)18-14(16-10)15-9-12-5-7-13(8-6-12)17(3)4/h5-9H,1-4H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline?
4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline has a molecular weight of 259.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 3299411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).