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

C12H15ClN2OS — CID 54955011

IUPAC1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(Cl)s2)oc1C
InChIInChI=1S/C12H15ClN2OS/c1-7-9(3)16-12(15-7)6-14-8(2)10-4-5-11(13)17-10/h4-5,8,14H,6H2,1-3H3
InChIKeyWGVWSIACNYHZCB-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.86
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 54955011) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID54955011
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(Cl)s2)oc1C
InChIInChI=1S/C12H15ClN2OS/c1-7-9(3)16-12(15-7)6-14-8(2)10-4-5-11(13)17-10/h4-5,8,14H,6H2,1-3H3
InChIKeyWGVWSIACNYHZCB-UHFFFAOYSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 54955011) is 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNC(C)c2ccc(Cl)s2)oc1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is WGVWSIACNYHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-7-9(3)16-12(15-7)6-14-8(2)10-4-5-11(13)17-10/h4-5,8,14H,6H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 54955011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).