N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide

C16H20N2O3S — CID 178063123

IUPACN-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
SMILESCCOCCOc1cc(-c2scnc2C)ccc1CNC=O
InChIInChI=1S/C16H20N2O3S/c1-3-20-6-7-21-15-8-13(16-12(2)18-11-22-16)4-5-14(15)9-17-10-19/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyBCHGZQRNLPGDEQ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.78
Rot. Bonds9

About N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide

N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide (PubChem CID 178063123) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
PubChem CID178063123
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
SMILESCCOCCOc1cc(-c2scnc2C)ccc1CNC=O
InChIInChI=1S/C16H20N2O3S/c1-3-20-6-7-21-15-8-13(16-12(2)18-11-22-16)4-5-14(15)9-17-10-19/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyBCHGZQRNLPGDEQ-UHFFFAOYSA-N
XLogP2.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?
The IUPAC name of N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide (CID 178063123) is N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide is CCOCCOc1cc(-c2scnc2C)ccc1CNC=O.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?
The InChIKey is BCHGZQRNLPGDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-20-6-7-21-15-8-13(16-12(2)18-11-22-16)4-5-14(15)9-17-10-19/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?
N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide has a molecular weight of 320.41 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide is sourced from PubChem (CID 178063123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).