5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine

C13H16N4O2S — CID 97317778

IUPAC5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cs1
InChIInChI=1S/C13H16N4O2S/c1-8(2)13-16-11(7-20-13)9(3)15-12-5-4-10(6-14-12)17(18)19/h4-9H,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyZNHSPHMLSQYVRU-VIFPVBQESA-N
MW292.36 g/mol
LogP3.74
Rot. Bonds5

About 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine

5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 97317778) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
PubChem CID97317778
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cs1
InChIInChI=1S/C13H16N4O2S/c1-8(2)13-16-11(7-20-13)9(3)15-12-5-4-10(6-14-12)17(18)19/h4-9H,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyZNHSPHMLSQYVRU-VIFPVBQESA-N
XLogP3.74
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.74
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-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 133346198
5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 99802719
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
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
6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133346231
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

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine (CID 97317778) is 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine is CC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cs1.
What is the InChIKey of 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is ZNHSPHMLSQYVRU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8(2)13-16-11(7-20-13)9(3)15-12-5-4-10(6-14-12)17(18)19/h4-9H,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 292.36 g/mol, XLogP of 3.74, 5 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-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 97317778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).