3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine

C9H8N4O2S — CID 104577455

IUPAC3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCc1cncs1
InChIInChI=1S/C9H8N4O2S/c14-13(15)9-5-10-2-1-8(9)12-4-7-3-11-6-16-7/h1-3,5-6H,4H2,(H,10,12)
InChIKeyIQXIEIPJYKVRFJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.06
Rot. Bonds4

About 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine

3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine (PubChem CID 104577455) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
PubChem CID104577455
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCc1cncs1
InChIInChI=1S/C9H8N4O2S/c14-13(15)9-5-10-2-1-8(9)12-4-7-3-11-6-16-7/h1-3,5-6H,4H2,(H,10,12)
InChIKeyIQXIEIPJYKVRFJ-UHFFFAOYSA-N
XLogP2.06
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.06
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 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-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

N-[(5-methylthiophen-2-yl)methyl]-3-nitropyridin-4-amine
CID 55029707
4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760174
3-nitro-N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285246
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-nitropyridin-4-amine
CID 65245868
5-isocyano-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 169290623
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine
CID 103704513
3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
CID 113428793
N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10332195
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
methyl 4-nitro-3-(1,3-thiazol-5-ylmethylamino)benzoate
CID 104577397
3-methyl-8-nitro-N-(1,3-thiazol-5-ylmethyl)isoquinolin-5-amine
CID 102714482
N-[(3-bromophenyl)methyl]-3-nitropyridin-4-amine
CID 61401634

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine (CID 104577455) is 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine is O=[N+]([O-])c1cnccc1NCc1cncs1.
What is the InChIKey of 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine?
The InChIKey is IQXIEIPJYKVRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-13(15)9-5-10-2-1-8(9)12-4-7-3-11-6-16-7/h1-3,5-6H,4H2,(H,10,12).
What are the key properties of 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine?
3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine has a molecular weight of 236.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 104577455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).