1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

C12H18N2S — CID 124568392

IUPAC1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCN(Cc1cscn1)C[C@@H]1CC=CCC1
InChIInChI=1S/C12H18N2S/c1-14(8-12-9-15-10-13-12)7-11-5-3-2-4-6-11/h2-3,9-11H,4-8H2,1H3/t11-/m1/s1
InChIKeyYGKXMQLEVDVRQN-LLVKDONJSA-N
MW222.36 g/mol
LogP2.93
Rot. Bonds4

About 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 124568392) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID124568392
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCN(Cc1cscn1)C[C@@H]1CC=CCC1
InChIInChI=1S/C12H18N2S/c1-14(8-12-9-15-10-13-12)7-11-5-3-2-4-6-11/h2-3,9-11H,4-8H2,1H3/t11-/m1/s1
InChIKeyYGKXMQLEVDVRQN-LLVKDONJSA-N
XLogP2.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
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 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 124568392) is 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is CN(Cc1cscn1)C[C@@H]1CC=CCC1.
What is the InChIKey of 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is YGKXMQLEVDVRQN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2S/c1-14(8-12-9-15-10-13-12)7-11-5-3-2-4-6-11/h2-3,9-11H,4-8H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 124568392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).