N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide

C16H21N3O2S — CID 8851203

IUPACN-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(OCc2csc(C)n2)cc1
InChIInChI=1S/C16H21N3O2S/c1-12(20)18-8-7-17-9-14-3-5-16(6-4-14)21-10-15-11-22-13(2)19-15/h3-6,11,17H,7-10H2,1-2H3,(H,18,20)
InChIKeyZZZAWPPAJACRPF-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.26
Rot. Bonds8

About N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide

N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide (PubChem CID 8851203) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide
PubChem CID8851203
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(OCc2csc(C)n2)cc1
InChIInChI=1S/C16H21N3O2S/c1-12(20)18-8-7-17-9-14-3-5-16(6-4-14)21-10-15-11-22-13(2)19-15/h3-6,11,17H,7-10H2,1-2H3,(H,18,20)
InChIKeyZZZAWPPAJACRPF-UHFFFAOYSA-N
XLogP2.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide (CID 8851203) is N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(OCc2csc(C)n2)cc1.
What is the InChIKey of N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide?
The InChIKey is ZZZAWPPAJACRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12(20)18-8-7-17-9-14-3-5-16(6-4-14)21-10-15-11-22-13(2)19-15/h3-6,11,17H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide?
N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 8851203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).