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

C9H17N3O2S — CID 106380901

IUPAC4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCN(C)CC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H17N3O2S/c1-12(2)5-8(13)4-10-3-7-6-15-9(14)11-7/h6,8,10,13H,3-5H2,1-2H3,(H,11,14)
InChIKeyMGNHQQFQCNLDSX-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.55
Rot. Bonds6

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

4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380901) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380901
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCN(C)CC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H17N3O2S/c1-12(2)5-8(13)4-10-3-7-6-15-9(14)11-7/h6,8,10,13H,3-5H2,1-2H3,(H,11,14)
InChIKeyMGNHQQFQCNLDSX-UHFFFAOYSA-N
XLogP-0.55
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380793
2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol
CID 118616705
3-[3-(Cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286823
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286824
3-[2-Hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286825
3-[3-(Ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286826
3-[2-Hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286827
3-(3-Amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43286828
N-(2-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418351
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
CID 63312925
N-[(2S)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 83029421
N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 83032248

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380901) is 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is CN(C)CC(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MGNHQQFQCNLDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-12(2)5-8(13)4-10-3-7-6-15-9(14)11-7/h6,8,10,13H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 231.32 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).