[2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine

C8H8N2OS — CID 60718965

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(-c2ccco2)n1
InChIInChI=1S/C8H8N2OS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2
InChIKeyKMYUKFRLLCUUTD-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.86
Rot. Bonds2

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine

[2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 60718965) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID60718965
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(-c2ccco2)n1
InChIInChI=1S/C8H8N2OS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2
InChIKeyKMYUKFRLLCUUTD-UHFFFAOYSA-N
XLogP1.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine (CID 60718965) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine is NCc1csc(-c2ccco2)n1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is KMYUKFRLLCUUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 180.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 60718965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).