5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine

C7H6N4O2S — CID 102770909

IUPAC5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(Nn2cccc2)s1
InChIInChI=1S/C7H6N4O2S/c12-11(13)6-5-8-7(14-6)9-10-3-1-2-4-10/h1-5H,(H,8,9)
InChIKeyRGHCQVLXVPOKCT-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.73
Rot. Bonds3

About 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine

5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine (PubChem CID 102770909) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine
PubChem CID102770909
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(Nn2cccc2)s1
InChIInChI=1S/C7H6N4O2S/c12-11(13)6-5-8-7(14-6)9-10-3-1-2-4-10/h1-5H,(H,8,9)
InChIKeyRGHCQVLXVPOKCT-UHFFFAOYSA-N
XLogP1.73
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.73
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-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102771145
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine
CID 102770919
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 593328
N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770701
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
N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770946
N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
CID 4598640
1-[[(5-nitro-1,3-thiazol-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 102769964
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine (CID 102770909) is 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(Nn2cccc2)s1.
What is the InChIKey of 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine?
The InChIKey is RGHCQVLXVPOKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c12-11(13)6-5-8-7(14-6)9-10-3-1-2-4-10/h1-5H,(H,8,9).
What are the key properties of 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine?
5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine has a molecular weight of 210.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 102770909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).