4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine

C16H16N2O2S — CID 4679644

IUPAC4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc2oc(-c3csc(NCC4CCCO4)n3)cc2c1
InChIInChI=1S/C16H16N2O2S/c1-2-6-14-11(4-1)8-15(20-14)13-10-21-16(18-13)17-9-12-5-3-7-19-12/h1-2,4,6,8,10,12H,3,5,7,9H2,(H,17,18)
InChIKeyUVSBYNGALMGSBW-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.15
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine

4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 4679644) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID4679644
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc2oc(-c3csc(NCC4CCCO4)n3)cc2c1
InChIInChI=1S/C16H16N2O2S/c1-2-6-14-11(4-1)8-15(20-14)13-10-21-16(18-13)17-9-12-5-3-7-19-12/h1-2,4,6,8,10,12H,3,5,7,9H2,(H,17,18)
InChIKeyUVSBYNGALMGSBW-UHFFFAOYSA-N
XLogP4.15
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine (CID 4679644) is 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine is c1ccc2oc(-c3csc(NCC4CCCO4)n3)cc2c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is UVSBYNGALMGSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-6-14-11(4-1)8-15(20-14)13-10-21-16(18-13)17-9-12-5-3-7-19-12/h1-2,4,6,8,10,12H,3,5,7,9H2,(H,17,18).
What are the key properties of 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 300.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4679644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).