N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine

C12H16N6O2S — CID 80901597

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCc1nc(C)c(C(C)Nc2nc(NN)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C12H16N6O2S/c1-6-11(21-8(3)14-6)7(2)15-12-9(18(19)20)4-5-10(16-12)17-13/h4-5,7H,13H2,1-3H3,(H2,15,16,17)
InChIKeyUXFLSQBOLOBABA-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 80901597) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID80901597
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCc1nc(C)c(C(C)Nc2nc(NN)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C12H16N6O2S/c1-6-11(21-8(3)14-6)7(2)15-12-9(18(19)20)4-5-10(16-12)17-13/h4-5,7H,13H2,1-3H3,(H2,15,16,17)
InChIKeyUXFLSQBOLOBABA-UHFFFAOYSA-N
XLogP2.52
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80901595
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoro-2-nitroaniline
CID 62378159
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-6-nitroaniline
CID 115551379
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoro-3-nitroaniline
CID 63752593
6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 80924578
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 62475344
2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80897107
N-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanamide
CID 80898006
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-hydrazinyl-3-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 80904081
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106198965
6-N-ethyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80784346

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine (CID 80901597) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine is Cc1nc(C)c(C(C)Nc2nc(NN)ccc2[N+](=O)[O-])s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is UXFLSQBOLOBABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-6-11(21-8(3)14-6)7(2)15-12-9(18(19)20)4-5-10(16-12)17-13/h4-5,7H,13H2,1-3H3,(H2,15,16,17).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 308.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80901597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).