3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide

C18H24N2O3S — CID 51958801

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C18H24N2O3S/c1-11-10-24-17(22)20(11)6-5-16(21)19-14-8-18(3,4)9-15-13(14)7-12(2)23-15/h7,10,14H,5-6,8-9H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyREENLDQVQLIQTP-AWEZNQCLSA-N
MW348.47 g/mol
LogP3.34
Rot. Bonds4

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide (PubChem CID 51958801) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
PubChem CID51958801
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C18H24N2O3S/c1-11-10-24-17(22)20(11)6-5-16(21)19-14-8-18(3,4)9-15-13(14)7-12(2)23-15/h7,10,14H,5-6,8-9H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyREENLDQVQLIQTP-AWEZNQCLSA-N
XLogP3.34
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide 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 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide (CID 51958801) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide is Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCn1c(C)csc1=O.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide?
The InChIKey is REENLDQVQLIQTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-11-10-24-17(22)20(11)6-5-16(21)19-14-8-18(3,4)9-15-13(14)7-12(2)23-15/h7,10,14H,5-6,8-9H2,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide has a molecular weight of 348.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide is sourced from PubChem (CID 51958801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).