4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one

C8H11ClN2OS — CID 106438366

IUPAC4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(=CCl)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H11ClN2OS/c1-6(2-9)3-10-4-7-5-13-8(12)11-7/h2,5,10H,3-4H2,1H3,(H,11,12)
InChIKeyUIYOJAUYXNFYJI-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.67
Rot. Bonds4

About 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106438366) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106438366
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(=CCl)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H11ClN2OS/c1-6(2-9)3-10-4-7-5-13-8(12)11-7/h2,5,10H,3-4H2,1H3,(H,11,12)
InChIKeyUIYOJAUYXNFYJI-UHFFFAOYSA-N
XLogP1.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propylaminomethyl)-3H-1,3-thiazol-2-one
CID 81463456
4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113123
4-[(butan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113137
4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113162
4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379943
4-(butylaminomethyl)-3H-1,3-thiazol-2-one
CID 106380470
3-chloro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106380559
3-chloro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106380565
4-[(2-methylidenebutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380795
4-[(3-methylbut-2-enylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380808
4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380836
4-[(3-methylbut-3-enylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380868

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106438366) is 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one is CC(=CCl)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UIYOJAUYXNFYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-6(2-9)3-10-4-7-5-13-8(12)11-7/h2,5,10H,3-4H2,1H3,(H,11,12).
What are the key properties of 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 218.71 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106438366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).