N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine

C11H13N3O2S2 — CID 102770946

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine
SMILESCC(C)(CNc1ncc([N+](=O)[O-])s1)c1cccs1
InChIInChI=1S/C11H13N3O2S2/c1-11(2,8-4-3-5-17-8)7-13-10-12-6-9(18-10)14(15)16/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyDJKKUMAXCQFZAA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.50
Rot. Bonds5

About N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 102770946) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine
PubChem CID102770946
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine
SMILESCC(C)(CNc1ncc([N+](=O)[O-])s1)c1cccs1
InChIInChI=1S/C11H13N3O2S2/c1-11(2,8-4-3-5-17-8)7-13-10-12-6-9(18-10)14(15)16/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyDJKKUMAXCQFZAA-UHFFFAOYSA-N
XLogP3.50
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.50
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-(2-methyl-2-thiophen-2-ylpropyl)-6-nitropyridin-3-amine
CID 78993099
6-N-methyl-4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 78963058
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
CID 78963068
N-(2-methyl-2-methylsulfonylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770921
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 80712424
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963644
1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol
CID 114149789
6-N-(2-methyl-2-thiophen-2-ylpropyl)-3-nitropyridine-2,6-diamine
CID 80528406
3-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitroaniline
CID 80528163
1-N-(2-methyl-2-thiophen-2-ylpropyl)-4-nitrobenzene-1,2-diamine
CID 80526095
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine (CID 102770946) is N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine is CC(C)(CNc1ncc([N+](=O)[O-])s1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is DJKKUMAXCQFZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-11(2,8-4-3-5-17-8)7-13-10-12-6-9(18-10)14(15)16/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 283.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102770946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).