[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone

C14H16N2O3S — CID 87218284

IUPAC[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
SMILESCNc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C14H16N2O3S/c1-15-14-16-11(10-3-2-6-19-10)13(20-14)12(17)9-4-7-18-8-5-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyYMBIBKPAHVWBAD-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.05
Rot. Bonds4

About [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone

[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone (PubChem CID 87218284) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
PubChem CID87218284
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
SMILESCNc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C14H16N2O3S/c1-15-14-16-11(10-3-2-6-19-10)13(20-14)12(17)9-4-7-18-8-5-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyYMBIBKPAHVWBAD-UHFFFAOYSA-N
XLogP3.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone (CID 87218284) is [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone is CNc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1.
What is the InChIKey of [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The InChIKey is YMBIBKPAHVWBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-15-14-16-11(10-3-2-6-19-10)13(20-14)12(17)9-4-7-18-8-5-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone has a molecular weight of 292.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 87218284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).