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

C12H14N4O2S — CID 104577201

IUPAC4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
SMILESCc1ccnc(NCC(C)c2nccs2)c1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2S/c1-8-3-4-13-11(10(8)16(17)18)15-7-9(2)12-14-5-6-19-12/h3-6,9H,7H2,1-2H3,(H,13,15)
InChIKeyGAVQZJWZOQBORA-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.97
Rot. Bonds5

About 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine

4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine (PubChem CID 104577201) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
PubChem CID104577201
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
SMILESCc1ccnc(NCC(C)c2nccs2)c1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2S/c1-8-3-4-13-11(10(8)16(17)18)15-7-9(2)12-14-5-6-19-12/h3-6,9H,7H2,1-2H3,(H,13,15)
InChIKeyGAVQZJWZOQBORA-UHFFFAOYSA-N
XLogP2.97
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.97
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

6-N-methyl-5-nitro-4-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 104577302
6-chloro-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 114128802
3-methyl-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577326
5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 113428773
5-nitro-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 124680383
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 133306955
N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584889
1-(2-methyl-4-nitrophenyl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86804078
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
3-ethoxy-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 114127933

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine (CID 104577201) is 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine is Cc1ccnc(NCC(C)c2nccs2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The InChIKey is GAVQZJWZOQBORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-3-4-13-11(10(8)16(17)18)15-7-9(2)12-14-5-6-19-12/h3-6,9H,7H2,1-2H3,(H,13,15).
What are the key properties of 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 104577201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).