5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine

C10H15N3S — CID 130617251

IUPAC5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CNC2CC=CCC2)s1
InChIInChI=1S/C10H15N3S/c11-10-13-7-9(14-10)6-12-8-4-2-1-3-5-8/h1-2,7-8,12H,3-6H2,(H2,11,13)
InChIKeyLUIPSWWHTQPCDY-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.92
Rot. Bonds3

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

5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 130617251) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID130617251
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CNC2CC=CCC2)s1
InChIInChI=1S/C10H15N3S/c11-10-13-7-9(14-10)6-12-8-4-2-1-3-5-8/h1-2,7-8,12H,3-6H2,(H2,11,13)
InChIKeyLUIPSWWHTQPCDY-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
CID 118958251
2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
CID 102768646
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 130948462
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclooctane-1-carboxylate
CID 120904774
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
CID 62755153
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
CID 54883470
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82422667

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine (CID 130617251) is 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine is Nc1ncc(CNC2CC=CCC2)s1.
What is the InChIKey of 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is LUIPSWWHTQPCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-10-13-7-9(14-10)6-12-8-4-2-1-3-5-8/h1-2,7-8,12H,3-6H2,(H2,11,13).
What are the key properties of 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine?
5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 209.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130617251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).