4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline

C11H14N2S — CID 3024540

IUPAC4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2=NCCS2)cc1
InChIInChI=1S/C11H14N2S/c1-13(2)10-5-3-9(4-6-10)11-12-7-8-14-11/h3-6H,7-8H2,1-2H3
InChIKeyXEUKWTMDLFTRPR-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.25
Rot. Bonds2

About 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline

4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline (PubChem CID 3024540) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline
PubChem CID3024540
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2=NCCS2)cc1
InChIInChI=1S/C11H14N2S/c1-13(2)10-5-3-9(4-6-10)11-12-7-8-14-11/h3-6H,7-8H2,1-2H3
InChIKeyXEUKWTMDLFTRPR-UHFFFAOYSA-N
XLogP2.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline (CID 3024540) is 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2=NCCS2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline?
The InChIKey is XEUKWTMDLFTRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13(2)10-5-3-9(4-6-10)11-12-7-8-14-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline?
4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline has a molecular weight of 206.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 3024540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).