5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine

C11H12N4O2S — CID 113428773

IUPAC5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
SMILESCC(CNc1ccc([N+](=O)[O-])cn1)c1nccs1
InChIInChI=1S/C11H12N4O2S/c1-8(11-12-4-5-18-11)6-13-10-3-2-9(7-14-10)15(16)17/h2-5,7-8H,6H2,1H3,(H,13,14)
InChIKeyIJDYOORPWXZGLQ-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.66
Rot. Bonds5

About 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine

5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine (PubChem CID 113428773) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
PubChem CID113428773
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
SMILESCC(CNc1ccc([N+](=O)[O-])cn1)c1nccs1
InChIInChI=1S/C11H12N4O2S/c1-8(11-12-4-5-18-11)6-13-10-3-2-9(7-14-10)15(16)17/h2-5,7-8H,6H2,1H3,(H,13,14)
InChIKeyIJDYOORPWXZGLQ-UHFFFAOYSA-N
XLogP2.66
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.66
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'}

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Related Compounds

5-nitro-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 124680383
3-methyl-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577326
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
N-[1-(3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585029
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577201
2-iodo-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104579241
5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
6-N-methyl-5-nitro-4-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 104577302
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
1-(2-methyl-4-nitrophenyl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86804078
6-chloro-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 114128802
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine (CID 113428773) is 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine is CC(CNc1ccc([N+](=O)[O-])cn1)c1nccs1.
What is the InChIKey of 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The InChIKey is IJDYOORPWXZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8(11-12-4-5-18-11)6-13-10-3-2-9(7-14-10)15(16)17/h2-5,7-8H,6H2,1H3,(H,13,14).
What are the key properties of 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine has a molecular weight of 264.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 113428773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).