N-hept-1-en-4-yl-1,3-thiazol-2-amine

C10H16N2S — CID 4711972

IUPACN-hept-1-en-4-yl-1,3-thiazol-2-amine
SMILESC=CCC(CCC)Nc1nccs1
InChIInChI=1S/C10H16N2S/c1-3-5-9(6-4-2)12-10-11-7-8-13-10/h3,7-9H,1,4-6H2,2H3,(H,11,12)
InChIKeyPYTDEUCEUAMYCH-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.30
Rot. Bonds6

About N-hept-1-en-4-yl-1,3-thiazol-2-amine

N-hept-1-en-4-yl-1,3-thiazol-2-amine (PubChem CID 4711972) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-hept-1-en-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-hept-1-en-4-yl-1,3-thiazol-2-amine
PubChem CID4711972
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-hept-1-en-4-yl-1,3-thiazol-2-amine
SMILESC=CCC(CCC)Nc1nccs1
InChIInChI=1S/C10H16N2S/c1-3-5-9(6-4-2)12-10-11-7-8-13-10/h3,7-9H,1,4-6H2,2H3,(H,11,12)
InChIKeyPYTDEUCEUAMYCH-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hept-1-en-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-hept-1-en-4-yl-1,3-thiazol-2-amine (CID 4711972) is N-hept-1-en-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-hept-1-en-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-hept-1-en-4-yl-1,3-thiazol-2-amine is C=CCC(CCC)Nc1nccs1.
What is the InChIKey of N-hept-1-en-4-yl-1,3-thiazol-2-amine?
The InChIKey is PYTDEUCEUAMYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-5-9(6-4-2)12-10-11-7-8-13-10/h3,7-9H,1,4-6H2,2H3,(H,11,12).
What are the key properties of N-hept-1-en-4-yl-1,3-thiazol-2-amine?
N-hept-1-en-4-yl-1,3-thiazol-2-amine has a molecular weight of 196.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-1-en-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 4711972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).