1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine

C7H12N2S2 — CID 62693439

IUPAC1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCSCc1ncc(C(C)N)s1
InChIInChI=1S/C7H12N2S2/c1-5(8)6-3-9-7(11-6)4-10-2/h3,5H,4,8H2,1-2H3
InChIKeyUCDLKCFDJUUOGB-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.03
Rot. Bonds3

About 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine

1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62693439) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62693439
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCSCc1ncc(C(C)N)s1
InChIInChI=1S/C7H12N2S2/c1-5(8)6-3-9-7(11-6)4-10-2/h3,5H,4,8H2,1-2H3
InChIKeyUCDLKCFDJUUOGB-UHFFFAOYSA-N
XLogP2.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 62693439) is 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine is CSCc1ncc(C(C)N)s1.
What is the InChIKey of 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is UCDLKCFDJUUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-5(8)6-3-9-7(11-6)4-10-2/h3,5H,4,8H2,1-2H3.
What are the key properties of 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 188.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62693439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).