(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

C16H20N2O2S — CID 26819647

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cs1
InChIInChI=1S/C16H20N2O2S/c1-10-5-6-15(7-11(10)2)20-12(3)16(19)17-8-14-9-21-13(4)18-14/h5-7,9,12H,8H2,1-4H3,(H,17,19)/t12-/m1/s1
InChIKeyDHZQKYXRVYCGQU-GFCCVEGCSA-N
MW304.42 g/mol
LogP3.15
Rot. Bonds5

About (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 26819647) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID26819647
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cs1
InChIInChI=1S/C16H20N2O2S/c1-10-5-6-15(7-11(10)2)20-12(3)16(19)17-8-14-9-21-13(4)18-14/h5-7,9,12H,8H2,1-4H3,(H,17,19)/t12-/m1/s1
InChIKeyDHZQKYXRVYCGQU-GFCCVEGCSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108760271
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
(2R)-2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263616
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819660
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819706
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 17165880
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 47048125
2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
CID 24509083
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 87041727

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 26819647) is (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cs1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is DHZQKYXRVYCGQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-5-6-15(7-11(10)2)20-12(3)16(19)17-8-14-9-21-13(4)18-14/h5-7,9,12H,8H2,1-4H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 304.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 26819647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).