2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide

C12H14N6O4S — CID 146048896

IUPAC2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide
SMILESCN(C)C=O.Nc1nc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C9H7N5O3S.C3H7NO/c10-9-11-7(15)8(18-9)13-12-5-1-3-6(4-2-5)14(16)17;1-4(2)3-5/h1-4,15H,(H2,10,11);3H,1-2H3/b13-12+;
InChIKeySZIXXWDJYBAAFZ-UEIGIMKUSA-N
MW338.35 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide

2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide (PubChem CID 146048896) has the molecular formula C12H14N6O4S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide.

Molecular Properties

Compound Name2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide
PubChem CID146048896
Molecular FormulaC12H14N6O4S
Molecular Weight338.35 g/mol
Exact Mass338.08
IUPAC Name2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide
SMILESCN(C)C=O.Nc1nc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C9H7N5O3S.C3H7NO/c10-9-11-7(15)8(18-9)13-12-5-1-3-6(4-2-5)14(16)17;1-4(2)3-5/h1-4,15H,(H2,10,11);3H,1-2H3/b13-12+;
InChIKeySZIXXWDJYBAAFZ-UEIGIMKUSA-N
XLogP2.46
TPSA147.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide
CID 63945983
methyl-(4-nitrophenyl)diazene
CID 20760343
5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 177492854
2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
CID 155663799
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
CID 10913969
(4-nitrophenyl)-phenyldiazene
CID 17222
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide
CID 3652591
2-[4-[[4-[[4-(dimethylamino)-5-(4-nitrophenyl)-1,3-dithiol-2-ylidene]amino]phenyl]diazenyl]phenyl]imino-N,N-dimethyl-5-(4-nitrophenyl)-1,3-dithiol-4-amine
CID 10723711
N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 71322282

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide?
The IUPAC name of 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide (CID 146048896) is 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide.
What is the SMILES notation for 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide?
The canonical SMILES for 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide is CN(C)C=O.Nc1nc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide?
The InChIKey is SZIXXWDJYBAAFZ-UEIGIMKUSA-N. The full InChI is InChI=1S/C9H7N5O3S.C3H7NO/c10-9-11-7(15)8(18-9)13-12-5-1-3-6(4-2-5)14(16)17;1-4(2)3-5/h1-4,15H,(H2,10,11);3H,1-2H3/b13-12+;.
What are the key properties of 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide?
2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide has a molecular weight of 338.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide is sourced from PubChem (CID 146048896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).