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

C27H22N2O2S2 — CID 44581472

IUPAC[2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(N(CCc2cccs2)Cc2ccccc2)nc1-c1ccco1
InChIInChI=1S/C27H22N2O2S2/c30-25(21-11-5-2-6-12-21)26-24(23-14-7-17-31-23)28-27(33-26)29(16-15-22-13-8-18-32-22)19-20-9-3-1-4-10-20/h1-14,17-18H,15-16,19H2
InChIKeyCODZQUKWDQBJNQ-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.94
Rot. Bonds9

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

[2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 44581472) has the molecular formula C27H22N2O2S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID44581472
Molecular FormulaC27H22N2O2S2
Molecular Weight470.62 g/mol
Exact Mass470.11
IUPAC Name[2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(N(CCc2cccs2)Cc2ccccc2)nc1-c1ccco1
InChIInChI=1S/C27H22N2O2S2/c30-25(21-11-5-2-6-12-21)26-24(23-14-7-17-31-23)28-27(33-26)29(16-15-22-13-8-18-32-22)19-20-9-3-1-4-10-20/h1-14,17-18H,15-16,19H2
InChIKeyCODZQUKWDQBJNQ-UHFFFAOYSA-N
XLogP6.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone (CID 44581472) is [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1sc(N(CCc2cccs2)Cc2ccccc2)nc1-c1ccco1.
What is the InChIKey of [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is CODZQUKWDQBJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2S2/c30-25(21-11-5-2-6-12-21)26-24(23-14-7-17-31-23)28-27(33-26)29(16-15-22-13-8-18-32-22)19-20-9-3-1-4-10-20/h1-14,17-18H,15-16,19H2.
What are the key properties of [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
[2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 470.62 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-thiophen-2-ylethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 44581472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).