N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine

C8H14N4O2S — CID 102771459

IUPACN,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H14N4O2S/c1-6(3-9-2)4-10-8-11-5-7(15-8)12(13)14/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyJZUKFIUWSMJZDX-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.32
Rot. Bonds6

About N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine

N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 102771459) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID102771459
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H14N4O2S/c1-6(3-9-2)4-10-8-11-5-7(15-8)12(13)14/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyJZUKFIUWSMJZDX-UHFFFAOYSA-N
XLogP1.32
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
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

3-amino-4-[(5-nitro-1,3-thiazol-2-yl)amino]butan-2-ol
CID 102771365
4-methyl-1-[(5-nitro-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 107153381
N-(4-methylpentyl)-5-nitro-1,3-thiazol-2-amine
CID 102770556
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 106171071
N,2-dimethyl-N'-(5-nitropyrimidin-2-yl)propane-1,3-diamine
CID 115303176
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-(3-methylsulfinylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102771097
4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol
CID 11601592
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine (CID 102771459) is N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine is CNCC(C)CNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is JZUKFIUWSMJZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6(3-9-2)4-10-8-11-5-7(15-8)12(13)14/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine?
N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 230.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 102771459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).