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

C11H8Cl2N2OS — CID 116585193

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
SMILESNCc1nc(C(=O)c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C11H8Cl2N2OS/c12-6-1-2-8(13)7(3-6)11(16)9-5-17-10(4-14)15-9/h1-3,5H,4,14H2
InChIKeyHVZGDUGGZLGDSV-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.14
Rot. Bonds3

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

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 116585193) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
PubChem CID116585193
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
SMILESNCc1nc(C(=O)c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C11H8Cl2N2OS/c12-6-1-2-8(13)7(3-6)11(16)9-5-17-10(4-14)15-9/h1-3,5H,4,14H2
InChIKeyHVZGDUGGZLGDSV-UHFFFAOYSA-N
XLogP3.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone
CID 116585198
(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 116585485
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514931
2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379482
2-(aminomethyl)-N-(2-chloro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 114259758
2-(aminomethyl)-N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119713279
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone (CID 116585193) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone is NCc1nc(C(=O)c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is HVZGDUGGZLGDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c12-6-1-2-8(13)7(3-6)11(16)9-5-17-10(4-14)15-9/h1-3,5H,4,14H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 287.17 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 116585193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).