N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine

C6H9ClN2S — CID 22450338

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2S/c1-2-8-3-5-4-9-6(7)10-5/h4,8H,2-3H2,1H3
InChIKeyGSTCXGLYLWATEA-UHFFFAOYSA-N
MW176.67 g/mol
LogP1.91
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 22450338) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID22450338
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2S/c1-2-8-3-5-4-9-6(7)10-5/h4,8H,2-3H2,1H3
InChIKeyGSTCXGLYLWATEA-UHFFFAOYSA-N
XLogP1.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine (CID 22450338) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine is CCNCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is GSTCXGLYLWATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S/c1-2-8-3-5-4-9-6(7)10-5/h4,8H,2-3H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 176.67 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 22450338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).