4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine

C10H7Cl2N3O3S — CID 107499877

IUPAC4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cs1
InChIInChI=1S/C10H7Cl2N3O3S/c11-6-1-8(15(16)17)9(2-7(6)12)18-3-5-4-19-10(13)14-5/h1-2,4H,3H2,(H2,13,14)
InChIKeyWHSGJFRMIOBGEC-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.52
Rot. Bonds4

About 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine

4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 107499877) has the molecular formula C10H7Cl2N3O3S and a molecular weight of 320.16 g/mol. Its IUPAC name is 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID107499877
Molecular FormulaC10H7Cl2N3O3S
Molecular Weight320.16 g/mol
Exact Mass318.96
IUPAC Name4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cs1
InChIInChI=1S/C10H7Cl2N3O3S/c11-6-1-8(15(16)17)9(2-7(6)12)18-3-5-4-19-10(13)14-5/h1-2,4H,3H2,(H2,13,14)
InChIKeyWHSGJFRMIOBGEC-UHFFFAOYSA-N
XLogP3.52
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine 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

4-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 79844951
N-[4-[(4-chloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 46535229
4-[(2,4,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 82086931
5-[(4,5-dichloro-2-nitrophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 107501543
[3-nitro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61487544
3-(4,5-dichloro-2-nitrophenoxy)propanal
CID 107500535
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
4-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137911
4-(4,5-dichloro-2-nitrophenoxy)butane-1-sulfonyl chloride
CID 107501718
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
2-(2-chlorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,3-thiazole
CID 4825301
4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575285

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine (CID 107499877) is 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine is Nc1nc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cs1.
What is the InChIKey of 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is WHSGJFRMIOBGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O3S/c11-6-1-8(15(16)17)9(2-7(6)12)18-3-5-4-19-10(13)14-5/h1-2,4H,3H2,(H2,13,14).
What are the key properties of 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 320.16 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dichloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107499877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).