[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone

C18H18N2O2S — CID 44581365

IUPAC[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCC(C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyMYVPXLHJBRJPSV-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.70
Rot. Bonds6

About [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone

[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 44581365) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID44581365
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCC(C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyMYVPXLHJBRJPSV-UHFFFAOYSA-N
XLogP4.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 44581365) is [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone is CC(C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is MYVPXLHJBRJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 326.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 44581365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).