1,3-thiazol-4-yl(thiolan-2-yl)methanamine

C8H12N2S2 — CID 130639849

IUPAC1,3-thiazol-4-yl(thiolan-2-yl)methanamine
SMILESNC(c1cscn1)C1CCCS1
InChIInChI=1S/C8H12N2S2/c9-8(6-4-11-5-10-6)7-2-1-3-12-7/h4-5,7-8H,1-3,9H2
InChIKeyRSYYLUQEFBDRGP-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.04
Rot. Bonds2

About 1,3-thiazol-4-yl(thiolan-2-yl)methanamine

1,3-thiazol-4-yl(thiolan-2-yl)methanamine (PubChem CID 130639849) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,3-thiazol-4-yl(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name1,3-thiazol-4-yl(thiolan-2-yl)methanamine
PubChem CID130639849
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name1,3-thiazol-4-yl(thiolan-2-yl)methanamine
SMILESNC(c1cscn1)C1CCCS1
InChIInChI=1S/C8H12N2S2/c9-8(6-4-11-5-10-6)7-2-1-3-12-7/h4-5,7-8H,1-3,9H2
InChIKeyRSYYLUQEFBDRGP-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl(thiolan-2-yl)methanamine?
The IUPAC name of 1,3-thiazol-4-yl(thiolan-2-yl)methanamine (CID 130639849) is 1,3-thiazol-4-yl(thiolan-2-yl)methanamine.
What is the SMILES notation for 1,3-thiazol-4-yl(thiolan-2-yl)methanamine?
The canonical SMILES for 1,3-thiazol-4-yl(thiolan-2-yl)methanamine is NC(c1cscn1)C1CCCS1.
What is the InChIKey of 1,3-thiazol-4-yl(thiolan-2-yl)methanamine?
The InChIKey is RSYYLUQEFBDRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c9-8(6-4-11-5-10-6)7-2-1-3-12-7/h4-5,7-8H,1-3,9H2.
What are the key properties of 1,3-thiazol-4-yl(thiolan-2-yl)methanamine?
1,3-thiazol-4-yl(thiolan-2-yl)methanamine has a molecular weight of 200.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl(thiolan-2-yl)methanamine is sourced from PubChem (CID 130639849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).