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

C11H12N4O2S — CID 103704513

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine
SMILESCCc1cnc(CNc2ccncc2[N+](=O)[O-])s1
InChIInChI=1S/C11H12N4O2S/c1-2-8-5-14-11(18-8)7-13-9-3-4-12-6-10(9)15(16)17/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyCIVIWDWDRCQDDP-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.62
Rot. Bonds5

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine (PubChem CID 103704513) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine
PubChem CID103704513
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine
SMILESCCc1cnc(CNc2ccncc2[N+](=O)[O-])s1
InChIInChI=1S/C11H12N4O2S/c1-2-8-5-14-11(18-8)7-13-9-3-4-12-6-10(9)15(16)17/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyCIVIWDWDRCQDDP-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 133326051
3-nitro-N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285246
N-[(5-methylthiophen-2-yl)methyl]-3-nitropyridin-4-amine
CID 55029707
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 103780073
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-nitropyridin-4-amine
CID 65245868
3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
CID 104577455
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 103704528
4-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-nitroaniline
CID 54883132
3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
CID 79363161
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 103701893
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine (CID 103704513) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine is CCc1cnc(CNc2ccncc2[N+](=O)[O-])s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine?
The InChIKey is CIVIWDWDRCQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-2-8-5-14-11(18-8)7-13-9-3-4-12-6-10(9)15(16)17/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine has a molecular weight of 264.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine is sourced from PubChem (CID 103704513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).