2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine

C7H14N2S — CID 141340720

IUPAC2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@@H]1CSC=N1
InChIInChI=1S/C7H14N2S/c1-9(2)4-3-7-5-10-6-8-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyFTWSWDVXTONOCT-SSDOTTSWSA-N
MW158.27 g/mol
LogP1.08
Rot. Bonds3

About 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine

2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine (PubChem CID 141340720) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine
PubChem CID141340720
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@@H]1CSC=N1
InChIInChI=1S/C7H14N2S/c1-9(2)4-3-7-5-10-6-8-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyFTWSWDVXTONOCT-SSDOTTSWSA-N
XLogP1.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19826786
3,4-Dimethyl-1-sulfanylidene-4,5-dihydro-1,3-thiazol-3-ium
CID 57201290
1-(4,5-dihydro-1,3-thiazol-5-yl)-N,N-dimethylmethanamine
CID 89252440
3,4,5-Trimethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 138677980
1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
CID 141340765
3-Butyl-4-methyl-4,5-dihydro-1,3-thiazol-3-ium
CID 86048817

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine (CID 141340720) is 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine is CN(C)CC[C@@H]1CSC=N1.
What is the InChIKey of 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine?
The InChIKey is FTWSWDVXTONOCT-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2S/c1-9(2)4-3-7-5-10-6-8-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine?
2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine has a molecular weight of 158.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 141340720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).