N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine

C10H14N2S — CID 78976841

IUPACN-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
SMILESC1=CCC(CNc2nccs2)CC1
InChIInChI=1S/C10H14N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-2,6-7,9H,3-5,8H2,(H,11,12)
InChIKeyCNJQKYAMMFBMIJ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.91
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine

N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 78976841) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID78976841
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
SMILESC1=CCC(CNc2nccs2)CC1
InChIInChI=1S/C10H14N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-2,6-7,9H,3-5,8H2,(H,11,12)
InChIKeyCNJQKYAMMFBMIJ-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.91
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-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine (CID 78976841) is N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine is C1=CCC(CNc2nccs2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is CNJQKYAMMFBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-2,6-7,9H,3-5,8H2,(H,11,12).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 194.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 78976841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).