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

C22H18N2O2S — CID 44581431

IUPAC[2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCN(Cc1ccccc1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C22H18N2O2S/c1-24(15-16-9-4-2-5-10-16)22-23-19(18-13-8-14-26-18)21(27-22)20(25)17-11-6-3-7-12-17/h2-14H,15H2,1H3
InChIKeyHGFUXSJCWBETFB-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.27
Rot. Bonds6

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

[2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 44581431) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID44581431
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name[2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCN(Cc1ccccc1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C22H18N2O2S/c1-24(15-16-9-4-2-5-10-16)22-23-19(18-13-8-14-26-18)21(27-22)20(25)17-11-6-3-7-12-17/h2-14H,15H2,1H3
InChIKeyHGFUXSJCWBETFB-UHFFFAOYSA-N
XLogP5.27
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 2484138
Sipagladenant
CID 23144148
A1/A3 AR antagonist 2
CID 162673862
[2-(1-Azepanyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl](phenyl)methanone
CID 4451465
Bis(furan-2-yl)-1,3-thiazol-2-amine
CID 2428993
2-[2-[3-(Furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 4884442
(4-(Furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 15950360
(2-(3,4-Difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 16050635
(2-(Benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 25211166
(4-(Furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 25211167
(4-(Furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone
CID 44581364
(4-(Furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone
CID 44581365

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone (CID 44581431) is [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone is CN(Cc1ccccc1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is HGFUXSJCWBETFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-24(15-16-9-4-2-5-10-16)22-23-19(18-13-8-14-26-18)21(27-22)20(25)17-11-6-3-7-12-17/h2-14H,15H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
[2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 374.47 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 44581431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).