4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one

C10H10Cl2N2OS2 — CID 114181273

IUPAC4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2N2OS2/c1-5(7-2-8(11)17-9(7)12)13-3-6-4-16-10(15)14-6/h2,4-5,13H,3H2,1H3,(H,14,15)
InChIKeyCNPZXFCUXNOMDA-UHFFFAOYSA-N
MW309.24 g/mol
LogP3.66
Rot. Bonds4

About 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181273) has the molecular formula C10H10Cl2N2OS2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181273
Molecular FormulaC10H10Cl2N2OS2
Molecular Weight309.24 g/mol
Exact Mass307.96
IUPAC Name4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2N2OS2/c1-5(7-2-8(11)17-9(7)12)13-3-6-4-16-10(15)14-6/h2,4-5,13H,3H2,1H3,(H,14,15)
InChIKeyCNPZXFCUXNOMDA-UHFFFAOYSA-N
XLogP3.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
4-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380156
4-[[1-(2-hydroxyphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181361
4-[[1-(2,5-difluorophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380489
4-[[1-(2,4-dibromophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379927
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
4-[[1-(2-hydroxy-5-methylphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181251
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103775330
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698
1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720708
4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380378

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 114181273) is 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is CC(NCc1csc(=O)[nH]1)c1cc(Cl)sc1Cl.
What is the InChIKey of 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is CNPZXFCUXNOMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2OS2/c1-5(7-2-8(11)17-9(7)12)13-3-6-4-16-10(15)14-6/h2,4-5,13H,3H2,1H3,(H,14,15).
What are the key properties of 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 309.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).