N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine

C15H9ClN4O4S — CID 57406324

IUPACN-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3Cl)n2)c1
InChIInChI=1S/C15H9ClN4O4S/c16-12-7-11(20(23)24)4-5-13(12)17-15-18-14(8-25-15)9-2-1-3-10(6-9)19(21)22/h1-8H,(H,17,18)
InChIKeyAFLUEEDHCZVRSK-UHFFFAOYSA-N
MW376.78 g/mol
LogP5.02
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine

N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine (PubChem CID 57406324) has the molecular formula C15H9ClN4O4S and a molecular weight of 376.78 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine
PubChem CID57406324
Molecular FormulaC15H9ClN4O4S
Molecular Weight376.78 g/mol
Exact Mass376.00
IUPAC NameN-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3Cl)n2)c1
InChIInChI=1S/C15H9ClN4O4S/c16-12-7-11(20(23)24)4-5-13(12)17-15-18-14(8-25-15)9-2-1-3-10(6-9)19(21)22/h1-8H,(H,17,18)
InChIKeyAFLUEEDHCZVRSK-UHFFFAOYSA-N
XLogP5.02
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.78
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine
CID 108779413
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 110337726
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
(2S)-2-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 2384514
3-(2,4-dichlorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3638700
5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8748712
3-(4-chloro-3-nitrophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3521087
6-methoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 117071543
4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile
CID 57406323
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
4-(4-aminophenyl)-N-(2-methyl-5-nitrophenyl)-1,3-thiazol-2-amine
CID 82028308

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine (CID 57406324) is N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine is O=[N+]([O-])c1cccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3Cl)n2)c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine?
The InChIKey is AFLUEEDHCZVRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O4S/c16-12-7-11(20(23)24)4-5-13(12)17-15-18-14(8-25-15)9-2-1-3-10(6-9)19(21)22/h1-8H,(H,17,18).
What are the key properties of N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine?
N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine has a molecular weight of 376.78 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 57406324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).