N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine

C8H11N3O2S — CID 102770701

IUPACN-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine
SMILESCC1(C)CC1Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H11N3O2S/c1-8(2)3-5(8)10-7-9-4-6(14-7)11(12)13/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyPNDCONJKTYLHDL-UHFFFAOYSA-N
MW213.26 g/mol
LogP2.26
Rot. Bonds3

About N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine

N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 102770701) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine
PubChem CID102770701
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine
SMILESCC1(C)CC1Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H11N3O2S/c1-8(2)3-5(8)10-7-9-4-6(14-7)11(12)13/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyPNDCONJKTYLHDL-UHFFFAOYSA-N
XLogP2.26
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,2-dimethyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
CID 102771172
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine
CID 102770919
N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine
CID 102770963
2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570956
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 102770367
cis-(1R,3S)-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
CID 106322245
5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine
CID 102770953
N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine
CID 102770677
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102769905
2-[ethyl-[3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122062047
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine (CID 102770701) is N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine is CC1(C)CC1Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is PNDCONJKTYLHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-8(2)3-5(8)10-7-9-4-6(14-7)11(12)13/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine?
N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 213.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102770701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).