N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine

C8H5ClN4O2S — CID 110176124

IUPACN-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1Nc1cncs1
InChIInChI=1S/C8H5ClN4O2S/c9-5-1-6(13(14)15)8(11-2-5)12-7-3-10-4-16-7/h1-4H,(H,11,12)
InChIKeyYRNXPEXWTBPWCF-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.84
Rot. Bonds3

About N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine

N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine (PubChem CID 110176124) has the molecular formula C8H5ClN4O2S and a molecular weight of 256.67 g/mol. Its IUPAC name is N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine
PubChem CID110176124
Molecular FormulaC8H5ClN4O2S
Molecular Weight256.67 g/mol
Exact Mass255.98
IUPAC NameN-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1Nc1cncs1
InChIInChI=1S/C8H5ClN4O2S/c9-5-1-6(13(14)15)8(11-2-5)12-7-3-10-4-16-7/h1-4H,(H,11,12)
InChIKeyYRNXPEXWTBPWCF-UHFFFAOYSA-N
XLogP2.84
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.84
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 N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-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-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol
CID 70584439
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111474
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine
CID 3097917
5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine
CID 103821473
N-[(4-aminophenyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 116650490
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine?
The IUPAC name of N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine (CID 110176124) is N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine.
What is the SMILES notation for N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine?
The canonical SMILES for N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine is O=[N+]([O-])c1cc(Cl)cnc1Nc1cncs1.
What is the InChIKey of N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine?
The InChIKey is YRNXPEXWTBPWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O2S/c9-5-1-6(13(14)15)8(11-2-5)12-7-3-10-4-16-7/h1-4H,(H,11,12).
What are the key properties of N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine?
N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine has a molecular weight of 256.67 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 110176124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).