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

C11H17N3O2S — CID 106013018

IUPACN-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NCCCC2CCCC2)s1
InChIInChI=1S/C11H17N3O2S/c15-14(16)10-8-13-11(17-10)12-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H,12,13)
InChIKeyLSEWLHAXKFZFDK-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.43
Rot. Bonds6

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

N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 106013018) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
PubChem CID106013018
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NCCCC2CCCC2)s1
InChIInChI=1S/C11H17N3O2S/c15-14(16)10-8-13-11(17-10)12-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H,12,13)
InChIKeyLSEWLHAXKFZFDK-UHFFFAOYSA-N
XLogP3.43
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
N'-cyclohexyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102770507
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 106006443
N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770791
N-(4-methylpentyl)-5-nitro-1,3-thiazol-2-amine
CID 102770556
N-(3-methylsulfinylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102771097
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine
CID 102771044
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770669

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine (CID 106013018) is N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(NCCCC2CCCC2)s1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is LSEWLHAXKFZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c15-14(16)10-8-13-11(17-10)12-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H,12,13).
What are the key properties of N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine?
N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 255.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 106013018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).