[4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone

C20H16N2O3S — CID 44581432

IUPAC[4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone
SMILESCN(Cc1ccco1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C20H16N2O3S/c1-22(13-15-9-5-11-24-15)20-21-17(16-10-6-12-25-16)19(26-20)18(23)14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyDKICFZCZJPNDET-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.86
Rot. Bonds6

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

[4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 44581432) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID44581432
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name[4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone
SMILESCN(Cc1ccco1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C20H16N2O3S/c1-22(13-15-9-5-11-24-15)20-21-17(16-10-6-12-25-16)19(26-20)18(23)14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyDKICFZCZJPNDET-UHFFFAOYSA-N
XLogP4.86
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone (CID 44581432) is [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone is CN(Cc1ccco1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is DKICFZCZJPNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-22(13-15-9-5-11-24-15)20-21-17(16-10-6-12-25-16)19(26-20)18(23)14-7-3-2-4-8-14/h2-12H,13H2,1H3.
What are the key properties of [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone?
[4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 364.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 44581432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).