N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine

C10H10N4O3S — CID 102770482

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine
SMILESCOc1ncccc1CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H10N4O3S/c1-17-9-7(3-2-4-11-9)5-12-10-13-6-8(18-10)14(15)16/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyFASGFGUOSQEZLN-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.07
Rot. Bonds5

About N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine

N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine (PubChem CID 102770482) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine
PubChem CID102770482
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine
SMILESCOc1ncccc1CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H10N4O3S/c1-17-9-7(3-2-4-11-9)5-12-10-13-6-8(18-10)14(15)16/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyFASGFGUOSQEZLN-UHFFFAOYSA-N
XLogP2.07
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine
CID 103095277
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-5-nitropyridin-2-amine
CID 79535598
N-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3-nitroaniline
CID 62912632
2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3376734
5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline
CID 79034228
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-4-nitroaniline
CID 46604120
4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 79399734
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 58259007
N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 55735453
N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102771145
N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770946

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine (CID 102770482) is N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine is COc1ncccc1CNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine?
The InChIKey is FASGFGUOSQEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-17-9-7(3-2-4-11-9)5-12-10-13-6-8(18-10)14(15)16/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine has a molecular weight of 266.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102770482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).