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

C15H17ClN2O2S — CID 51315956

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2O2S/c1-10-9-21-13(18-10)8-17-14(19)15(2,3)20-12-6-4-11(16)5-7-12/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyNGXRWZGZORNPAZ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.58
Rot. Bonds5

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

2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 51315956) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID51315956
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2O2S/c1-10-9-21-13(18-10)8-17-14(19)15(2,3)20-12-6-4-11(16)5-7-12/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyNGXRWZGZORNPAZ-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823
2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245356
2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 171673968
2-(4-chlorophenoxy)-2-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]propanamide
CID 121018855
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropanamide
CID 8917158
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 91967491
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 51315956) is 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1csc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is NGXRWZGZORNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-9-21-13(18-10)8-17-14(19)15(2,3)20-12-6-4-11(16)5-7-12/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 324.83 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 51315956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).