N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine

C12H14N4O2S — CID 133412898

IUPACN,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1nc(N(C)CCc2nccs2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2S/c1-9-10(16(17)18)3-4-11(14-9)15(2)7-5-12-13-6-8-19-12/h3-4,6,8H,5,7H2,1-2H3
InChIKeyNXMRIWJFKBKQIV-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.43
Rot. Bonds5

About N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine

N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 133412898) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID133412898
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1nc(N(C)CCc2nccs2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2S/c1-9-10(16(17)18)3-4-11(14-9)15(2)7-5-12-13-6-8-19-12/h3-4,6,8H,5,7H2,1-2H3
InChIKeyNXMRIWJFKBKQIV-UHFFFAOYSA-N
XLogP2.43
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
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,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine (CID 133412898) is N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine is Cc1nc(N(C)CCc2nccs2)ccc1[N+](=O)[O-].
What is the InChIKey of N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is NXMRIWJFKBKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9-10(16(17)18)3-4-11(14-9)15(2)7-5-12-13-6-8-19-12/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133412898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).