cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine

C11H16N2S — CID 82236016

IUPACcyclohepten-1-yl(1,3-thiazol-4-yl)methanamine
SMILESNC(C1=CCCCCC1)c1cscn1
InChIInChI=1S/C11H16N2S/c12-11(10-7-14-8-13-10)9-5-3-1-2-4-6-9/h5,7-8,11H,1-4,6,12H2
InChIKeyICVNRUPDLCMVIY-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.03
Rot. Bonds2

About cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine

cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine (PubChem CID 82236016) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(1,3-thiazol-4-yl)methanamine
PubChem CID82236016
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Namecyclohepten-1-yl(1,3-thiazol-4-yl)methanamine
SMILESNC(C1=CCCCCC1)c1cscn1
InChIInChI=1S/C11H16N2S/c12-11(10-7-14-8-13-10)9-5-3-1-2-4-6-9/h5,7-8,11H,1-4,6,12H2
InChIKeyICVNRUPDLCMVIY-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.03
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

[cyclohexen-1-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 106649352
1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 106654015
cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106657133
N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114987412
(4-bromothiophen-2-yl)-(cycloocten-1-yl)methanamine
CID 106653050
(4-bromothiophen-2-yl)-(cyclohexen-1-yl)methanamine
CID 106653049
cyclohexen-1-yl(pyrimidin-5-yl)methanamine
CID 106657338
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl(thiophen-2-yl)methanamine
CID 62078485
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine
CID 82236067
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine?
The IUPAC name of cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine (CID 82236016) is cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine is NC(C1=CCCCCC1)c1cscn1.
What is the InChIKey of cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine?
The InChIKey is ICVNRUPDLCMVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-11(10-7-14-8-13-10)9-5-3-1-2-4-6-9/h5,7-8,11H,1-4,6,12H2.
What are the key properties of cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine?
cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine has a molecular weight of 208.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 82236016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).