5-chloro-N-ethyl-N-methylthiophen-2-amine

C7H10ClNS — CID 67755029

IUPAC5-chloro-N-ethyl-N-methylthiophen-2-amine
SMILESCCN(C)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-3-9(2)7-5-4-6(8)10-7/h4-5H,3H2,1-2H3
InChIKeyHNMCYZMEDOYTGF-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.86
Rot. Bonds2

About 5-chloro-N-ethyl-N-methylthiophen-2-amine

5-chloro-N-ethyl-N-methylthiophen-2-amine (PubChem CID 67755029) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-methylthiophen-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-methylthiophen-2-amine
PubChem CID67755029
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name5-chloro-N-ethyl-N-methylthiophen-2-amine
SMILESCCN(C)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-3-9(2)7-5-4-6(8)10-7/h4-5H,3H2,1-2H3
InChIKeyHNMCYZMEDOYTGF-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-methylthiophen-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-methylthiophen-2-amine (CID 67755029) is 5-chloro-N-ethyl-N-methylthiophen-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-methylthiophen-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-methylthiophen-2-amine is CCN(C)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-ethyl-N-methylthiophen-2-amine?
The InChIKey is HNMCYZMEDOYTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-3-9(2)7-5-4-6(8)10-7/h4-5H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-N-methylthiophen-2-amine?
5-chloro-N-ethyl-N-methylthiophen-2-amine has a molecular weight of 175.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-methylthiophen-2-amine is sourced from PubChem (CID 67755029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).