N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine

C11H18N4O2S — CID 102770791

IUPACN'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCN(CCNc1ncc([N+](=O)[O-])s1)C1CCCC1
InChIInChI=1S/C11H18N4O2S/c1-14(9-4-2-3-5-9)7-6-12-11-13-8-10(18-11)15(16)17/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyYIBGKHWIXNBYMS-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.34
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 102770791) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID102770791
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCN(CCNc1ncc([N+](=O)[O-])s1)C1CCCC1
InChIInChI=1S/C11H18N4O2S/c1-14(9-4-2-3-5-9)7-6-12-11-13-8-10(18-11)15(16)17/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyYIBGKHWIXNBYMS-UHFFFAOYSA-N
XLogP2.34
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.34
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'-cyclohexyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102770507
N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364
N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 106013018
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
N-(3-methylsulfinylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102771097
N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770669
5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 102770422
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 102770791) is N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine is CN(CCNc1ncc([N+](=O)[O-])s1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is YIBGKHWIXNBYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-14(9-4-2-3-5-9)7-6-12-11-13-8-10(18-11)15(16)17/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 270.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 102770791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).