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

C16H20N2O2S — CID 134049917

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(OCCN(C)C(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-4-6-15(7-5-12)20-9-8-18(3)16(19)10-14-11-21-13(2)17-14/h4-7,11H,8-10H2,1-3H3
InChIKeyPDNNQRSLTLNCPI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.84
Rot. Bonds6

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

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 134049917) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID134049917
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(OCCN(C)C(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-4-6-15(7-5-12)20-9-8-18(3)16(19)10-14-11-21-13(2)17-14/h4-7,11H,8-10H2,1-3H3
InChIKeyPDNNQRSLTLNCPI-UHFFFAOYSA-N
XLogP2.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55772290
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 31641686
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 62799435
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62799436
3-[methyl-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119232998
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55332279
N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 134008734
1-(4-butoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108782
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 134049917) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(OCCN(C)C(=O)Cc2csc(C)n2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PDNNQRSLTLNCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-4-6-15(7-5-12)20-9-8-18(3)16(19)10-14-11-21-13(2)17-14/h4-7,11H,8-10H2,1-3H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 134049917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).