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

C10H14N4O2S — CID 102770677

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NC2CCN(C3CC3)C2)s1
InChIInChI=1S/C10H14N4O2S/c15-14(16)9-5-11-10(17-9)12-7-3-4-13(6-7)8-1-2-8/h5,7-8H,1-4,6H2,(H,11,12)
InChIKeyJHYQAPSBKNRNKG-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.70
Rot. Bonds4

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

N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 102770677) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine
PubChem CID102770677
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NC2CCN(C3CC3)C2)s1
InChIInChI=1S/C10H14N4O2S/c15-14(16)9-5-11-10(17-9)12-7-3-4-13(6-7)8-1-2-8/h5,7-8H,1-4,6H2,(H,11,12)
InChIKeyJHYQAPSBKNRNKG-UHFFFAOYSA-N
XLogP1.70
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine (CID 102770677) is N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(NC2CCN(C3CC3)C2)s1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is JHYQAPSBKNRNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-14(16)9-5-11-10(17-9)12-7-3-4-13(6-7)8-1-2-8/h5,7-8H,1-4,6H2,(H,11,12).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine?
N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 254.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102770677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).