2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide

C12H11Cl2N3OS — CID 110450896

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESNCc1nc(CC(=O)Nc2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C12H11Cl2N3OS/c13-7-1-2-9(14)10(3-7)17-11(18)4-8-6-19-12(5-15)16-8/h1-3,6H,4-5,15H2,(H,17,18)
InChIKeyOWALBUTZZMVTBN-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 110450896) has the molecular formula C12H11Cl2N3OS and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID110450896
Molecular FormulaC12H11Cl2N3OS
Molecular Weight316.21 g/mol
Exact Mass315.00
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESNCc1nc(CC(=O)Nc2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C12H11Cl2N3OS/c13-7-1-2-9(14)10(3-7)17-11(18)4-8-6-19-12(5-15)16-8/h1-3,6H,4-5,15H2,(H,17,18)
InChIKeyOWALBUTZZMVTBN-UHFFFAOYSA-N
XLogP3.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 110451051
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide
CID 110450895
N-(2,5-dichlorophenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38886003
N-(2,5-dichlorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701113
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
N-(5-chloro-2-methylphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389683
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
2-(aminomethyl)-N-(2-chloro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 114259758
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069309
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide (CID 110450896) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide is NCc1nc(CC(=O)Nc2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is OWALBUTZZMVTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS/c13-7-1-2-9(14)10(3-7)17-11(18)4-8-6-19-12(5-15)16-8/h1-3,6H,4-5,15H2,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 316.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 110450896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).