N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine

C11H18N2S2 — CID 115089837

IUPACN-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(C2CCSC2)s1
InChIInChI=1S/C11H18N2S2/c1-8(12-2)5-10-6-13-11(15-10)9-3-4-14-7-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyXIMZBSOZNNHQJW-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.51
Rot. Bonds4

About N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine

N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115089837) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115089837
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(C2CCSC2)s1
InChIInChI=1S/C11H18N2S2/c1-8(12-2)5-10-6-13-11(15-10)9-3-4-14-7-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyXIMZBSOZNNHQJW-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 115089837) is N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine is CNC(C)Cc1cnc(C2CCSC2)s1.
What is the InChIKey of N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is XIMZBSOZNNHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8(12-2)5-10-6-13-11(15-10)9-3-4-14-7-9/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115089837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).