2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide

C13H13Cl2N3OS — CID 110450895

IUPAC2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide
SMILESNCCc1nc(CC(=O)Nc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H13Cl2N3OS/c14-8-1-2-11(10(15)5-8)18-12(19)6-9-7-20-13(17-9)3-4-16/h1-2,5,7H,3-4,6,16H2,(H,18,19)
InChIKeyPWRZIMBNMPVGHQ-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.13
Rot. Bonds5

About 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide

2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 110450895) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide
PubChem CID110450895
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide
SMILESNCCc1nc(CC(=O)Nc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H13Cl2N3OS/c14-8-1-2-11(10(15)5-8)18-12(19)6-9-7-20-13(17-9)3-4-16/h1-2,5,7H,3-4,6,16H2,(H,18,19)
InChIKeyPWRZIMBNMPVGHQ-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide
CID 110450896
N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 110450916
N-(5-chloro-2-methylphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389683
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332846
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 110451051
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 62799070
N-(2,5-dichlorophenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38886003
N-(2-acetamido-5-chlorophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 60605397
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide (CID 110450895) is 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide is NCCc1nc(CC(=O)Nc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is PWRZIMBNMPVGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c14-8-1-2-11(10(15)5-8)18-12(19)6-9-7-20-13(17-9)3-4-16/h1-2,5,7H,3-4,6,16H2,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide?
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 330.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 110450895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).