4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

C8H12N2S2 — CID 83196384

IUPAC4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESNC1CSCC1Cc1nccs1
InChIInChI=1S/C8H12N2S2/c9-7-5-11-4-6(7)3-8-10-1-2-12-8/h1-2,6-7H,3-5,9H2
InChIKeyUBUXAUKSWQXRHF-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.38
Rot. Bonds2

About 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (PubChem CID 83196384) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
PubChem CID83196384
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESNC1CSCC1Cc1nccs1
InChIInChI=1S/C8H12N2S2/c9-7-5-11-4-6(7)3-8-10-1-2-12-8/h1-2,6-7H,3-5,9H2
InChIKeyUBUXAUKSWQXRHF-UHFFFAOYSA-N
XLogP1.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The IUPAC name of 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (CID 83196384) is 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is NC1CSCC1Cc1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The InChIKey is UBUXAUKSWQXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c9-7-5-11-4-6(7)3-8-10-1-2-12-8/h1-2,6-7H,3-5,9H2.
What are the key properties of 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine has a molecular weight of 200.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 83196384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).