2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C14H15ClN2O2S — CID 4599824

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)Oc2ccc(Cl)cc2C)n1
InChIInChI=1S/C14H15ClN2O2S/c1-8-6-11(15)4-5-12(8)19-10(3)13(18)17-14-16-9(2)7-20-14/h4-7,10H,1-3H3,(H,16,17,18)
InChIKeyUDESQQVMVQNWJW-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 4599824) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID4599824
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)Oc2ccc(Cl)cc2C)n1
InChIInChI=1S/C14H15ClN2O2S/c1-8-6-11(15)4-5-12(8)19-10(3)13(18)17-14-16-9(2)7-20-14/h4-7,10H,1-3H3,(H,16,17,18)
InChIKeyUDESQQVMVQNWJW-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 720854
2-(4-chloro-2-methylphenoxy)-N-[4-(2-thienyl)-1,3-thiazol-2-yl]acetamide
CID 1291535
N-(4-(4-Chlorophenyl)-1,3-thiazol-2-YL)-2-(4-methoxyphenoxy)acetamide
CID 1326290
Ethyl 2-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 718551
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3707383
2-{2-[2-(4-Chloro-phenoxy)-acetylamino]-thiazol-4-yl}-N-hydroxy-acetamide
CID 44397328
2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 979319
2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1153682
Ethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 139229519
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 2122292
2-(4-chlorophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1075046
2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2295689

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 4599824) is 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)C(C)Oc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is UDESQQVMVQNWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-8-6-11(15)4-5-12(8)19-10(3)13(18)17-14-16-9(2)7-20-14/h4-7,10H,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 310.81 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4599824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).