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

C9H16N2OS — CID 106379943

IUPAC4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2OS/c1-9(2,3)6-10-4-7-5-13-8(12)11-7/h5,10H,4,6H2,1-3H3,(H,11,12)
InChIKeyQHAUYHHGRRJSRC-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.57
Rot. Bonds3

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

4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379943) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379943
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2OS/c1-9(2,3)6-10-4-7-5-13-8(12)11-7/h5,10H,4,6H2,1-3H3,(H,11,12)
InChIKeyQHAUYHHGRRJSRC-UHFFFAOYSA-N
XLogP1.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
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
4-Methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
CID 60671012
3-[2-(Tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671313
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-Methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one
CID 61387939
3-[3-(Ethylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 61387940
3-[3-(Tert-butylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 61388131
4-Methyl-3-[2-methyl-3-(propylamino)propyl]-1,3-thiazol-2-one
CID 64231465
4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one
CID 64231688

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379943) is 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one is CC(C)(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QHAUYHHGRRJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,3)6-10-4-7-5-13-8(12)11-7/h5,10H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 200.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).