N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C17H20N2O2S — CID 46266175

IUPACN-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(C)c(OCc2nc(CC(=O)NC3CC3)cs2)c1
InChIInChI=1S/C17H20N2O2S/c1-11-3-4-12(2)15(7-11)21-9-17-19-14(10-22-17)8-16(20)18-13-5-6-13/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyOPMRGVGMQJDKFW-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.16
Rot. Bonds6

About N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 46266175) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID46266175
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(C)c(OCc2nc(CC(=O)NC3CC3)cs2)c1
InChIInChI=1S/C17H20N2O2S/c1-11-3-4-12(2)15(7-11)21-9-17-19-14(10-22-17)8-16(20)18-13-5-6-13/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyOPMRGVGMQJDKFW-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 46266175) is N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(C)c(OCc2nc(CC(=O)NC3CC3)cs2)c1.
What is the InChIKey of N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is OPMRGVGMQJDKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-3-4-12(2)15(7-11)21-9-17-19-14(10-22-17)8-16(20)18-13-5-6-13/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46266175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).