5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine

C9H16N4S — CID 54121529

IUPAC5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine
SMILESCC(CCc1cnc(N)s1)=NN(C)C
InChIInChI=1S/C9H16N4S/c1-7(12-13(2)3)4-5-8-6-11-9(10)14-8/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyNOAOXRSWWYIAKM-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.60
Rot. Bonds4

About 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine

5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine (PubChem CID 54121529) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine
PubChem CID54121529
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine
SMILESCC(CCc1cnc(N)s1)=NN(C)C
InChIInChI=1S/C9H16N4S/c1-7(12-13(2)3)4-5-8-6-11-9(10)14-8/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyNOAOXRSWWYIAKM-UHFFFAOYSA-N
XLogP1.60
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine (CID 54121529) is 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine is CC(CCc1cnc(N)s1)=NN(C)C.
What is the InChIKey of 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine?
The InChIKey is NOAOXRSWWYIAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7(12-13(2)3)4-5-8-6-11-9(10)14-8/h6H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine?
5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylhydrazinylidene)butyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54121529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).