4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one

C6H10N2OS — CID 119091330

IUPAC4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCN(C)Cc1csc(=O)[nH]1
InChIInChI=1S/C6H10N2OS/c1-8(2)3-5-4-10-6(9)7-5/h4H,3H2,1-2H3,(H,7,9)
InChIKeyFLNUBGIHESTYLE-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.50
Rot. Bonds2

About 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one

4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 119091330) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID119091330
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCN(C)Cc1csc(=O)[nH]1
InChIInChI=1S/C6H10N2OS/c1-8(2)3-5-4-10-6(9)7-5/h4H,3H2,1-2H3,(H,7,9)
InChIKeyFLNUBGIHESTYLE-UHFFFAOYSA-N
XLogP0.50
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380671
4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380734
3-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-one
CID 43213975
4-(Aminomethyl)-2,3-dihydro-1,3-thiazol-2-one
CID 67093933
2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
CID 43287094
4-Methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
CID 60671012
4-Methyl-3-[2-(propylamino)ethyl]-1,3-thiazol-2-one
CID 60671974
4-Methyl-3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
CID 60673049
3-[2-(Ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60673072
4-(Aminomethyl)-2,3-dihydro-1,3-thiazol-2-one hydrochloride
CID 71756373
4-(azidomethyl)-3H-1,3-thiazol-2-one
CID 75537492
4-(1-aminoethyl)-3H-1,3-thiazol-2-one
CID 81455986

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one (CID 119091330) is 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one is CN(C)Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FLNUBGIHESTYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-8(2)3-5-4-10-6(9)7-5/h4H,3H2,1-2H3,(H,7,9).
What are the key properties of 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 158.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 119091330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).