2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine

C10H7Cl2N5O2S — CID 168625690

IUPAC2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2c(Cl)ccc([N+](=O)[O-])c2Cl)n1
InChIInChI=1S/C10H7Cl2N5O2S/c11-6-1-2-7(17(18)19)9(12)5(6)3-14-16-10-15-8(13)4-20-10/h1-4H,13H2,(H,15,16)
InChIKeyDUXUDSFAQLKRQE-UHFFFAOYSA-N
MW332.17 g/mol
LogP3.39
Rot. Bonds4

About 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625690) has the molecular formula C10H7Cl2N5O2S and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625690
Molecular FormulaC10H7Cl2N5O2S
Molecular Weight332.17 g/mol
Exact Mass330.97
IUPAC Name2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2c(Cl)ccc([N+](=O)[O-])c2Cl)n1
InChIInChI=1S/C10H7Cl2N5O2S/c11-6-1-2-7(17(18)19)9(12)5(6)3-14-16-10-15-8(13)4-20-10/h1-4H,13H2,(H,15,16)
InChIKeyDUXUDSFAQLKRQE-UHFFFAOYSA-N
XLogP3.39
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(3-fluoro-4-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625811
3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 168625605
2-N-[(2-nitro-5-phenoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627847
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methoxy-6-nitrophenol
CID 168626377
N-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenyl]acetamide
CID 168628252
2-N-[[3-nitro-4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628370
4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787296
2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627064
2-N-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628079
2-N-[[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628078
2-N-[(3-fluoro-4-methoxy-5-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627932
4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenoxy]butanoic acid
CID 168626304

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625690) is 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2c(Cl)ccc([N+](=O)[O-])c2Cl)n1.
What is the InChIKey of 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is DUXUDSFAQLKRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N5O2S/c11-6-1-2-7(17(18)19)9(12)5(6)3-14-16-10-15-8(13)4-20-10/h1-4H,13H2,(H,15,16).
What are the key properties of 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 332.17 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).