2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine

C6H9ClN2S — CID 175036541

IUPAC2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine
SMILESCCN(C)c1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2S/c1-3-9(2)5-4-8-6(7)10-5/h4H,3H2,1-2H3
InChIKeyXCUNIOYQNQGTIN-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine

2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine (PubChem CID 175036541) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine
PubChem CID175036541
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine
SMILESCCN(C)c1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2S/c1-3-9(2)5-4-8-6(7)10-5/h4H,3H2,1-2H3
InChIKeyXCUNIOYQNQGTIN-UHFFFAOYSA-N
XLogP2.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine?
The IUPAC name of 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine (CID 175036541) is 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine is CCN(C)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine?
The InChIKey is XCUNIOYQNQGTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S/c1-3-9(2)5-4-8-6(7)10-5/h4H,3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine?
2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine has a molecular weight of 176.67 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 175036541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).