[2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine

C9H14N2S2 — CID 115028917

IUPAC[2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1(c2ncc(CN)s2)CCSC1
InChIInChI=1S/C9H14N2S2/c1-9(2-3-12-6-9)8-11-5-7(4-10)13-8/h5H,2-4,6,10H2,1H3
InChIKeyWJAUROMYTKQKQG-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.00
Rot. Bonds2

About [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine

[2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 115028917) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID115028917
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name[2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1(c2ncc(CN)s2)CCSC1
InChIInChI=1S/C9H14N2S2/c1-9(2-3-12-6-9)8-11-5-7(4-10)13-8/h5H,2-4,6,10H2,1H3
InChIKeyWJAUROMYTKQKQG-UHFFFAOYSA-N
XLogP2.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine (CID 115028917) is [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine is CC1(c2ncc(CN)s2)CCSC1.
What is the InChIKey of [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WJAUROMYTKQKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-9(2-3-12-6-9)8-11-5-7(4-10)13-8/h5H,2-4,6,10H2,1H3.
What are the key properties of [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine?
[2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 214.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylthiolan-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 115028917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).