N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine

C12H18N2S — CID 79590603

IUPACN-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
SMILESCc1nc(CC=CCCNC2CC2)cs1
InChIInChI=1S/C12H18N2S/c1-10-14-12(9-15-10)5-3-2-4-8-13-11-6-7-11/h2-3,9,11,13H,4-8H2,1H3
InChIKeyKKLFVCFVJZKGNL-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.69
Rot. Bonds6

About N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine

N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine (PubChem CID 79590603) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
PubChem CID79590603
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
SMILESCc1nc(CC=CCCNC2CC2)cs1
InChIInChI=1S/C12H18N2S/c1-10-14-12(9-15-10)5-3-2-4-8-13-11-6-7-11/h2-3,9,11,13H,4-8H2,1H3
InChIKeyKKLFVCFVJZKGNL-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025022
4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole
CID 143071473
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine
CID 103910333
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
CID 106094989
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 106045358
2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 54976397

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine (CID 79590603) is N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine is Cc1nc(CC=CCCNC2CC2)cs1.
What is the InChIKey of N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine?
The InChIKey is KKLFVCFVJZKGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-14-12(9-15-10)5-3-2-4-8-13-11-6-7-11/h2-3,9,11,13H,4-8H2,1H3.
What are the key properties of N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine?
N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine has a molecular weight of 222.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79590603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).