N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine

C8H12N4O2S — CID 102771398

IUPACN-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine
SMILESCCN(c1ncc([N+](=O)[O-])s1)C1CNC1
InChIInChI=1S/C8H12N4O2S/c1-2-11(6-3-9-4-6)8-10-5-7(15-8)12(13)14/h5-6,9H,2-4H2,1H3
InChIKeyMKCADXPMXPPRRS-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.85
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine

N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine (PubChem CID 102771398) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine
PubChem CID102771398
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine
SMILESCCN(c1ncc([N+](=O)[O-])s1)C1CNC1
InChIInChI=1S/C8H12N4O2S/c1-2-11(6-3-9-4-6)8-10-5-7(15-8)12(13)14/h5-6,9H,2-4H2,1H3
InChIKeyMKCADXPMXPPRRS-UHFFFAOYSA-N
XLogP0.85
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.85
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

3-[cyclopropyl-(5-nitro-1,3-thiazol-2-yl)amino]propanoic acid
CID 102769699
N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106641069
5-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 106643102
N-(azetidin-3-yl)-N-ethyl-4-methyl-3-nitropyridin-2-amine
CID 66182623
N-(azetidin-3-yl)-N-ethyl-4-nitro-1,3-benzothiazol-5-amine
CID 66181987
N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 66183911
N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine
CID 66181559
3-[ethyl-(5-nitro-1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 102769799
N-(azetidin-3-yl)-N-ethyl-4-nitro-1,3-benzoxazol-2-amine
CID 79881770
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
N-(azetidin-3-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 66182420
N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
CID 66182633

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine (CID 102771398) is N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine is CCN(c1ncc([N+](=O)[O-])s1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine?
The InChIKey is MKCADXPMXPPRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-2-11(6-3-9-4-6)8-10-5-7(15-8)12(13)14/h5-6,9H,2-4H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine?
N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine has a molecular weight of 228.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102771398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).