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

C7H8Cl2N2OS — CID 106380836

IUPAC4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC/C(Cl)=C\Cl)cs1
InChIInChI=1S/C7H8Cl2N2OS/c8-1-5(9)2-10-3-6-4-13-7(12)11-6/h1,4,10H,2-3H2,(H,11,12)/b5-1+
InChIKeyODQRNOITOLFNDR-ORCRQEGFSA-N
MW239.13 g/mol
LogP1.85
Rot. Bonds4

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

4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380836) has the molecular formula C7H8Cl2N2OS and a molecular weight of 239.13 g/mol. Its IUPAC name is 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380836
Molecular FormulaC7H8Cl2N2OS
Molecular Weight239.13 g/mol
Exact Mass237.97
IUPAC Name4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC/C(Cl)=C\Cl)cs1
InChIInChI=1S/C7H8Cl2N2OS/c8-1-5(9)2-10-3-6-4-13-7(12)11-6/h1,4,10H,2-3H2,(H,11,12)/b5-1+
InChIKeyODQRNOITOLFNDR-ORCRQEGFSA-N
XLogP1.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380836) is 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC/C(Cl)=C\Cl)cs1.
What is the InChIKey of 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ODQRNOITOLFNDR-ORCRQEGFSA-N. The full InChI is InChI=1S/C7H8Cl2N2OS/c8-1-5(9)2-10-3-6-4-13-7(12)11-6/h1,4,10H,2-3H2,(H,11,12)/b5-1+.
What are the key properties of 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 239.13 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-2,3-dichloroprop-2-enyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).