4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine

C8H8N2OS — CID 112683901

IUPAC4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine
SMILESCc1occc1-c1csc(N)n1
InChIInChI=1S/C8H8N2OS/c1-5-6(2-3-11-5)7-4-12-8(9)10-7/h2-4H,1H3,(H2,9,10)
InChIKeyXYABMYOHJTVLOG-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.29
Rot. Bonds1

About 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine

4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine (PubChem CID 112683901) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine
PubChem CID112683901
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine
SMILESCc1occc1-c1csc(N)n1
InChIInChI=1S/C8H8N2OS/c1-5-6(2-3-11-5)7-4-12-8(9)10-7/h2-4H,1H3,(H2,9,10)
InChIKeyXYABMYOHJTVLOG-UHFFFAOYSA-N
XLogP2.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine (CID 112683901) is 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine is Cc1occc1-c1csc(N)n1.
What is the InChIKey of 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine?
The InChIKey is XYABMYOHJTVLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-6(2-3-11-5)7-4-12-8(9)10-7/h2-4H,1H3,(H2,9,10).
What are the key properties of 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine?
4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine has a molecular weight of 180.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112683901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).