N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

C24H20N2O4S — CID 1301972

IUPACN-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C24H20N2O4S/c1-15(27)25-24-26-23(28)22(31-24)13-16-10-11-20(21(12-16)29-2)30-14-18-8-5-7-17-6-3-4-9-19(17)18/h3-13H,14H2,1-2H3,(H,25,26,27,28)
InChIKeyWHAHOCZQRKDPAR-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.53
Rot. Bonds5

About N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (PubChem CID 1301972) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
PubChem CID1301972
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C24H20N2O4S/c1-15(27)25-24-26-23(28)22(31-24)13-16-10-11-20(21(12-16)29-2)30-14-18-8-5-7-17-6-3-4-9-19(17)18/h3-13H,14H2,1-2H3,(H,25,26,27,28)
InChIKeyWHAHOCZQRKDPAR-UHFFFAOYSA-N
XLogP4.53
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 126033569
N-[5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1253742
(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one
CID 67502490
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126229820
N-(2-bromophenyl)-2-[(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126339562
3-[2-(4-bromophenyl)-2-oxoethyl]-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4644045
N-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2255687
5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135398991
N-[(5E)-5-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 126097983
(5E)-3-(3,4-dichlorophenyl)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 50872875
N-[(5E)-5-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 126090300
N-[(5E)-5-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1319979

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (CID 1301972) is N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is COc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc12.
What is the InChIKey of N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The InChIKey is WHAHOCZQRKDPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-15(27)25-24-26-23(28)22(31-24)13-16-10-11-20(21(12-16)29-2)30-14-18-8-5-7-17-6-3-4-9-19(17)18/h3-13H,14H2,1-2H3,(H,25,26,27,28).
What are the key properties of N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide has a molecular weight of 432.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1301972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).