4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine

C12H18N2S — CID 83261883

IUPAC4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine
SMILESCc1nc(CC2=CCC(N)CC2)sc1C
InChIInChI=1S/C12H18N2S/c1-8-9(2)15-12(14-8)7-10-3-5-11(13)6-4-10/h3,11H,4-7,13H2,1-2H3
InChIKeyCMVZMCKYWPYSHV-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.74
Rot. Bonds2

About 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine

4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine (PubChem CID 83261883) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine
PubChem CID83261883
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine
SMILESCc1nc(CC2=CCC(N)CC2)sc1C
InChIInChI=1S/C12H18N2S/c1-8-9(2)15-12(14-8)7-10-3-5-11(13)6-4-10/h3,11H,4-7,13H2,1-2H3
InChIKeyCMVZMCKYWPYSHV-UHFFFAOYSA-N
XLogP2.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.74
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 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine (CID 83261883) is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine is Cc1nc(CC2=CCC(N)CC2)sc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine?
The InChIKey is CMVZMCKYWPYSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-8-9(2)15-12(14-8)7-10-3-5-11(13)6-4-10/h3,11H,4-7,13H2,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine?
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine has a molecular weight of 222.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 83261883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).