N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine

C12H18N2S — CID 114987412

IUPACN-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)c1cscn1
InChIInChI=1S/C12H18N2S/c1-2-7-13-12(10-5-3-4-6-10)11-8-15-9-14-11/h5,8-9,12-13H,2-4,6-7H2,1H3
InChIKeyBYNFKOJKQXFRFE-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.29
Rot. Bonds5

About N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine

N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 114987412) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID114987412
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)c1cscn1
InChIInChI=1S/C12H18N2S/c1-2-7-13-12(10-5-3-4-6-10)11-8-15-9-14-11/h5,8-9,12-13H,2-4,6-7H2,1H3
InChIKeyBYNFKOJKQXFRFE-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 106654015
[cyclohexen-1-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 106649352
N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 78923898
N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106653894
N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114990272
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 106654794
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106657274
N-[(5-chlorothiophen-2-yl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 62276494
N-[cycloocten-1-yl-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 106656610
N-[cyclopenten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 63506305
N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 107129043

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine (CID 114987412) is N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine is CCCNC(C1=CCCC1)c1cscn1.
What is the InChIKey of N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is BYNFKOJKQXFRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-7-13-12(10-5-3-4-6-10)11-8-15-9-14-11/h5,8-9,12-13H,2-4,6-7H2,1H3.
What are the key properties of N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine?
N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 222.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114987412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).