N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine

C10H16N2S — CID 4711971

IUPACN-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine
SMILESC=CCC(Nc1nccs1)C(C)C
InChIInChI=1S/C10H16N2S/c1-4-5-9(8(2)3)12-10-11-6-7-13-10/h4,6-9H,1,5H2,2-3H3,(H,11,12)
InChIKeyQJROBOHUBCOYAR-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.16
Rot. Bonds5

About N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine

N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine (PubChem CID 4711971) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine
PubChem CID4711971
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine
SMILESC=CCC(Nc1nccs1)C(C)C
InChIInChI=1S/C10H16N2S/c1-4-5-9(8(2)3)12-10-11-6-7-13-10/h4,6-9H,1,5H2,2-3H3,(H,11,12)
InChIKeyQJROBOHUBCOYAR-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.16
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-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine (CID 4711971) is N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine is C=CCC(Nc1nccs1)C(C)C.
What is the InChIKey of N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine?
The InChIKey is QJROBOHUBCOYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-4-5-9(8(2)3)12-10-11-6-7-13-10/h4,6-9H,1,5H2,2-3H3,(H,11,12).
What are the key properties of N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine?
N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine has a molecular weight of 196.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhex-5-en-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4711971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).