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

C6H12N2S — CID 141340765

IUPAC1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CSC=N1
InChIInChI=1S/C6H12N2S/c1-8(2)3-6-4-9-5-7-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyPTQBHORIQFWKJQ-ZCFIWIBFSA-N
MW144.24 g/mol
LogP0.69
Rot. Bonds2

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

1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 141340765) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
PubChem CID141340765
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CSC=N1
InChIInChI=1S/C6H12N2S/c1-8(2)3-6-4-9-5-7-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyPTQBHORIQFWKJQ-ZCFIWIBFSA-N
XLogP0.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.69
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
N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide
CID 123264875
3,4,5-Trimethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 138677980
2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylethanamine
CID 141340720

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine (CID 141340765) is 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine is CN(C)C[C@@H]1CSC=N1.
What is the InChIKey of 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is PTQBHORIQFWKJQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12N2S/c1-8(2)3-6-4-9-5-7-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine?
1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 144.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 141340765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).