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

C11H18N2S2 — CID 107133299

IUPACN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nccs1)C1CCSC1
InChIInChI=1S/C11H18N2S2/c1-8(2)13-10(9-3-5-14-7-9)11-12-4-6-15-11/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyDWVJQAJKCQFWII-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.94
Rot. Bonds4

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

N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine (PubChem CID 107133299) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine
PubChem CID107133299
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nccs1)C1CCSC1
InChIInChI=1S/C11H18N2S2/c1-8(2)13-10(9-3-5-14-7-9)11-12-4-6-15-11/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyDWVJQAJKCQFWII-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine (CID 107133299) is N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine is CC(C)NC(c1nccs1)C1CCSC1.
What is the InChIKey of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine?
The InChIKey is DWVJQAJKCQFWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8(2)13-10(9-3-5-14-7-9)11-12-4-6-15-11/h4,6,8-10,13H,3,5,7H2,1-2H3.
What are the key properties of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine?
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 107133299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).