2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide

C19H14ClN3O2S — CID 4784997

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C19H14ClN3O2S/c1-12-8-15(20)6-7-17(12)25-10-18(24)23-19-22-16(11-26-19)14-4-2-13(9-21)3-5-14/h2-8,11H,10H2,1H3,(H,22,23,24)
InChIKeyNPWBGJZNVSQTHB-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.66
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4784997) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4784997
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C19H14ClN3O2S/c1-12-8-15(20)6-7-17(12)25-10-18(24)23-19-22-16(11-26-19)14-4-2-13(9-21)3-5-14/h2-8,11H,10H2,1H3,(H,22,23,24)
InChIKeyNPWBGJZNVSQTHB-UHFFFAOYSA-N
XLogP4.66
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196879
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406701
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2473057
2-(4-chloro-2-methylphenoxy)-N-[4-(3-ethyl-4-heptoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 110171562
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide
CID 3567605
methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986380
2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178578
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406670

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide (CID 4784997) is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NPWBGJZNVSQTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-12-8-15(20)6-7-17(12)25-10-18(24)23-19-22-16(11-26-19)14-4-2-13(9-21)3-5-14/h2-8,11H,10H2,1H3,(H,22,23,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 383.86 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4784997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).