5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine

C10H10N4O2S — CID 99802719

IUPAC5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cncs1
InChIInChI=1S/C10H10N4O2S/c1-7(9-5-11-6-17-9)13-10-3-2-8(4-12-10)14(15)16/h2-7H,1H3,(H,12,13)/t7-/m0/s1
InChIKeyBDSRXVDEUHDNJC-ZETCQYMHSA-N
MW250.28 g/mol
LogP2.62
Rot. Bonds4

About 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine

5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 99802719) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
PubChem CID99802719
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cncs1
InChIInChI=1S/C10H10N4O2S/c1-7(9-5-11-6-17-9)13-10-3-2-8(4-12-10)14(15)16/h2-7H,1H3,(H,12,13)/t7-/m0/s1
InChIKeyBDSRXVDEUHDNJC-ZETCQYMHSA-N
XLogP2.62
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
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

5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 97317778
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 30994278
N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916957
N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 7230667
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28544299
N-(2-methyl-1-phenylpropyl)-5-nitropyridin-2-amine
CID 16962694
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594
2-(4-nitrophenyl)-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]ethanesulfonamide
CID 99802853

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine (CID 99802719) is 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine is C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cncs1.
What is the InChIKey of 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is BDSRXVDEUHDNJC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-7(9-5-11-6-17-9)13-10-3-2-8(4-12-10)14(15)16/h2-7H,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine?
5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 250.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 99802719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).