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'}

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Related Compounds

3-bromo-N-methyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 75437556
1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80718215
2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413055
3-bromo-N-methyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 133412869
N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine
CID 84588425
5-bromo-N-methyl-2-nitro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 133368508
(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
CID 97329550
3-[ethyl-(6-methyl-5-nitro-2-pyridinyl)amino]propanenitrile
CID 80711760
3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 84595268
N-methyl-N-[2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 138007313
2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133413062
N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133412957

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).