N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

C17H20N2O2S — CID 110716156

IUPACN-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)N(CCc2nccs2)C2CC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13-2-6-15(7-3-13)21-12-17(20)19(14-4-5-14)10-8-16-18-9-11-22-16/h2-3,6-7,9,11,14H,4-5,8,10,12H2,1H3
InChIKeyGIBPTJQWESBEDQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.06
Rot. Bonds7

About N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 110716156) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID110716156
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)N(CCc2nccs2)C2CC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13-2-6-15(7-3-13)21-12-17(20)19(14-4-5-14)10-8-16-18-9-11-22-16/h2-3,6-7,9,11,14H,4-5,8,10,12H2,1H3
InChIKeyGIBPTJQWESBEDQ-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716174
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90496022
N-cyclopropyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 110723109
N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110716132
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide
CID 146661408
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
CID 110715870
2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110716155
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 110718267
2-(4-methylphenoxy)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150572
N-(3-aminopropyl)-N-cyclopropyl-2-phenoxyacetamide
CID 43136742

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 110716156) is N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is Cc1ccc(OCC(=O)N(CCc2nccs2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is GIBPTJQWESBEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-2-6-15(7-3-13)21-12-17(20)19(14-4-5-14)10-8-16-18-9-11-22-16/h2-3,6-7,9,11,14H,4-5,8,10,12H2,1H3.
What are the key properties of N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110716156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).