4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one

C11H10Cl2N2OS — CID 106379948

IUPAC4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCc2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C11H10Cl2N2OS/c12-8-1-2-10(13)7(3-8)4-14-5-9-6-17-11(16)15-9/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyFPEQHTHNALXYOO-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.03
Rot. Bonds4

About 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379948) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379948
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCc2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C11H10Cl2N2OS/c12-8-1-2-10(13)7(3-8)4-14-5-9-6-17-11(16)15-9/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyFPEQHTHNALXYOO-UHFFFAOYSA-N
XLogP3.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-chloro-5-nitrophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379750
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380091
4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380238
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 65316186
4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181240
4-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380156
5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383388
4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380259
N-methyl-5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-2-sulfonamide
CID 106379707
4-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3H-1,3-thiazol-2-one
CID 114181203
5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid
CID 106380427
4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381978

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379948) is 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCc2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FPEQHTHNALXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c12-8-1-2-10(13)7(3-8)4-14-5-9-6-17-11(16)15-9/h1-3,6,14H,4-5H2,(H,15,16).
What are the key properties of 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 289.19 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).