1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

C12H14Cl2N2OS — CID 114180137

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2cc(Cl)sc2Cl)oc1C
InChIInChI=1S/C12H14Cl2N2OS/c1-6-8(3)17-11(16-6)5-15-7(2)9-4-10(13)18-12(9)14/h4,7,15H,5H2,1-3H3
InChIKeyORTQBSDRGLJYOO-UHFFFAOYSA-N
MW305.23 g/mol
LogP4.51
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 114180137) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID114180137
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2cc(Cl)sc2Cl)oc1C
InChIInChI=1S/C12H14Cl2N2OS/c1-6-8(3)17-11(16-6)5-15-7(2)9-4-10(13)18-12(9)14/h4,7,15H,5H2,1-3H3
InChIKeyORTQBSDRGLJYOO-UHFFFAOYSA-N
XLogP4.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 106370395
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828
1-(2,4-dichloro-5-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103912719
1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370599
1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913139
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,5-dichlorothiophen-3-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 114082787
1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 113348433
1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 103780244
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(2,5-dichlorothiophen-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393008

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 114180137) is 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNC(C)c2cc(Cl)sc2Cl)oc1C.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is ORTQBSDRGLJYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c1-6-8(3)17-11(16-6)5-15-7(2)9-4-10(13)18-12(9)14/h4,7,15H,5H2,1-3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 305.23 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 114180137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).