N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine

C7H12N2S2 — CID 91801644

IUPACN,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine
SMILESCN(C)CCSc1cncs1
InChIInChI=1S/C7H12N2S2/c1-9(2)3-4-10-7-5-8-6-11-7/h5-6H,3-4H2,1-2H3
InChIKeyHWWJMYFVAQKTAJ-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.80
Rot. Bonds4

About N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine

N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine (PubChem CID 91801644) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine
PubChem CID91801644
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC NameN,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine
SMILESCN(C)CCSc1cncs1
InChIInChI=1S/C7H12N2S2/c1-9(2)3-4-10-7-5-8-6-11-7/h5-6H,3-4H2,1-2H3
InChIKeyHWWJMYFVAQKTAJ-UHFFFAOYSA-N
XLogP1.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine (CID 91801644) is N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine is CN(C)CCSc1cncs1.
What is the InChIKey of N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine?
The InChIKey is HWWJMYFVAQKTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-9(2)3-4-10-7-5-8-6-11-7/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine?
N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine has a molecular weight of 188.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine is sourced from PubChem (CID 91801644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).