1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

C12H18N2S — CID 115756994

IUPAC1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCC2CC=CCC2)s1
InChIInChI=1S/C12H18N2S/c1-10-7-14-12(15-10)9-13-8-11-5-3-2-4-6-11/h2-3,7,11,13H,4-6,8-9H2,1H3
InChIKeyQJZSYPDXJLDIQI-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.90
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 115756994) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID115756994
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCC2CC=CCC2)s1
InChIInChI=1S/C12H18N2S/c1-10-7-14-12(15-10)9-13-8-11-5-3-2-4-6-11/h2-3,7,11,13H,4-6,8-9H2,1H3
InChIKeyQJZSYPDXJLDIQI-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanimidamide
CID 135269122
2-(5-Fluoro-3-(1-(5-methylthiazol-2-yl)cyclopropyl)-3,4-dihydropyridin-1(2H)-yl)-N-methylethanamine
CID 154705796
5-methyl-2-[(E)-2-piperidin-4-ylethenyl]-1,3-thiazole
CID 57701924
2-Piperidin-4-yl-5-propan-2-yl-1,3-thiazole
CID 59766637
(1S)-3-methyl-1-(5-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 69713338
5-Methyl-2-(piperidin-4-ylidenemethyl)-1,3-thiazole
CID 90142904
3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 103096895
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylhex-5-en-1-amine
CID 134232461
N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine
CID 134232630
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethylhex-5-en-1-amine
CID 134232764
5-Propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole
CID 135196945
5-Ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole
CID 135197053

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 115756994) is 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1cnc(CNCC2CC=CCC2)s1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is QJZSYPDXJLDIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-7-14-12(15-10)9-13-8-11-5-3-2-4-6-11/h2-3,7,11,13H,4-6,8-9H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 115756994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).