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

C8H7N3O3S — CID 102771145

IUPACN-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NCc2ccoc2)s1
InChIInChI=1S/C8H7N3O3S/c12-11(13)7-4-10-8(15-7)9-3-6-1-2-14-5-6/h1-2,4-5H,3H2,(H,9,10)
InChIKeyXIRVHTPKGMPAFV-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.26
Rot. Bonds4

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

N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 102771145) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine
PubChem CID102771145
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC NameN-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NCc2ccoc2)s1
InChIInChI=1S/C8H7N3O3S/c12-11(13)7-4-10-8(15-7)9-3-6-1-2-14-5-6/h1-2,4-5H,3H2,(H,9,10)
InChIKeyXIRVHTPKGMPAFV-UHFFFAOYSA-N
XLogP2.26
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.26
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-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 106373712
N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine
CID 113234160
5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine
CID 102770909
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitro-1,3-thiazol-2-amine
CID 103095288
N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770482
N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine (CID 102771145) is N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(NCc2ccoc2)s1.
What is the InChIKey of N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is XIRVHTPKGMPAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c12-11(13)7-4-10-8(15-7)9-3-6-1-2-14-5-6/h1-2,4-5H,3H2,(H,9,10).
What are the key properties of N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine?
N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 225.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102771145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).