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

C17H20N2OS — CID 110716174

IUPACN-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1ccccc1CC(=O)N(CCc1nccs1)C1CC1
InChIInChI=1S/C17H20N2OS/c1-13-4-2-3-5-14(13)12-17(20)19(15-6-7-15)10-8-16-18-9-11-21-16/h2-5,9,11,15H,6-8,10,12H2,1H3
InChIKeyUIOOBUACHZJCMT-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.23
Rot. Bonds6

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

N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 110716174) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID110716174
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1ccccc1CC(=O)N(CCc1nccs1)C1CC1
InChIInChI=1S/C17H20N2OS/c1-13-4-2-3-5-14(13)12-17(20)19(15-6-7-15)10-8-16-18-9-11-21-16/h2-5,9,11,15H,6-8,10,12H2,1H3
InChIKeyUIOOBUACHZJCMT-UHFFFAOYSA-N
XLogP3.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 110716174) is N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is Cc1ccccc1CC(=O)N(CCc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is UIOOBUACHZJCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-4-2-3-5-14(13)12-17(20)19(15-6-7-15)10-8-16-18-9-11-21-16/h2-5,9,11,15H,6-8,10,12H2,1H3.
What are the key properties of N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110716174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).