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

C8H11N3O2S — CID 102770884

IUPACN-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NCCC2CC2)s1
InChIInChI=1S/C8H11N3O2S/c12-11(13)7-5-10-8(14-7)9-4-3-6-1-2-6/h5-6H,1-4H2,(H,9,10)
InChIKeyMWBROKLYJDNOET-UHFFFAOYSA-N
MW213.26 g/mol
LogP2.26
Rot. Bonds5

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

N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 102770884) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
PubChem CID102770884
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NCCC2CC2)s1
InChIInChI=1S/C8H11N3O2S/c12-11(13)7-5-10-8(14-7)9-4-3-6-1-2-6/h5-6H,1-4H2,(H,9,10)
InChIKeyMWBROKLYJDNOET-UHFFFAOYSA-N
XLogP2.26
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 106013018
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770791
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-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770669
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
N'-cyclohexyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102770507
N-(3-methylsulfinylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102771097
5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 102770422
N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine
CID 102771044

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine (CID 102770884) is N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(NCCC2CC2)s1.
What is the InChIKey of N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is MWBROKLYJDNOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-11(13)7-5-10-8(14-7)9-4-3-6-1-2-6/h5-6H,1-4H2,(H,9,10).
What are the key properties of N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine?
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 213.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102770884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).