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

C8H11N3O3S — CID 102770422

IUPAC5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NCC2CCCO2)s1
InChIInChI=1S/C8H11N3O3S/c12-11(13)7-5-10-8(15-7)9-4-6-2-1-3-14-6/h5-6H,1-4H2,(H,9,10)
InChIKeySUVKNUCOGWJDKH-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.64
Rot. Bonds4

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

5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 102770422) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID102770422
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NCC2CCCO2)s1
InChIInChI=1S/C8H11N3O3S/c12-11(13)7-5-10-8(15-7)9-4-6-2-1-3-14-6/h5-6H,1-4H2,(H,9,10)
InChIKeySUVKNUCOGWJDKH-UHFFFAOYSA-N
XLogP1.64
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.64
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-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2948518
N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770669
methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80571068
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79173840
3-methyl-8-nitro-N-(oxolan-2-ylmethyl)isoquinolin-5-amine
CID 102714226
5-nitro-N-(oxolan-2-ylmethyl)-1H-pyrazol-4-amine
CID 82238079
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine (CID 102770422) is 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(NCC2CCCO2)s1.
What is the InChIKey of 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is SUVKNUCOGWJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-11(13)7-5-10-8(15-7)9-4-6-2-1-3-14-6/h5-6H,1-4H2,(H,9,10).
What are the key properties of 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 229.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 102770422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).