N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine

C8H12N2S2 — CID 63830032

IUPACN-(1,3-thiazol-4-ylmethyl)thiolan-3-amine
SMILESc1nc(CNC2CCSC2)cs1
InChIInChI=1S/C8H12N2S2/c1-2-11-4-7(1)9-3-8-5-12-6-10-8/h5-7,9H,1-4H2
InChIKeyFXCFZPRLLHEFFX-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.74
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine

N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine (PubChem CID 63830032) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)thiolan-3-amine
PubChem CID63830032
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC NameN-(1,3-thiazol-4-ylmethyl)thiolan-3-amine
SMILESc1nc(CNC2CCSC2)cs1
InChIInChI=1S/C8H12N2S2/c1-2-11-4-7(1)9-3-8-5-12-6-10-8/h5-7,9H,1-4H2
InChIKeyFXCFZPRLLHEFFX-UHFFFAOYSA-N
XLogP1.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.74
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-4-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine (CID 63830032) is N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine is c1nc(CNC2CCSC2)cs1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine?
The InChIKey is FXCFZPRLLHEFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-2-11-4-7(1)9-3-8-5-12-6-10-8/h5-7,9H,1-4H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine?
N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine has a molecular weight of 200.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 63830032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).