cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine

C12H18N2S — CID 106657133

IUPACcyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1C(N)C1=CCCCCC1
InChIInChI=1S/C12H18N2S/c1-9-12(15-8-14-9)11(13)10-6-4-2-3-5-7-10/h6,8,11H,2-5,7,13H2,1H3
InChIKeyKNSQWYBYBONCOI-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.34
Rot. Bonds2

About cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine

cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 106657133) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID106657133
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Namecyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1C(N)C1=CCCCCC1
InChIInChI=1S/C12H18N2S/c1-9-12(15-8-14-9)11(13)10-6-4-2-3-5-7-10/h6,8,11H,2-5,7,13H2,1H3
InChIKeyKNSQWYBYBONCOI-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.34
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

cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine
CID 82236016
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 106657215
(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine
CID 106656353
cyclohexen-1-yl(thiophen-2-yl)methanamine
CID 62078485
cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 83684010
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105090551
(4-bromothiophen-2-yl)-(cycloocten-1-yl)methanamine
CID 106653050

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 106657133) is cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncsc1C(N)C1=CCCCCC1.
What is the InChIKey of cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is KNSQWYBYBONCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9-12(15-8-14-9)11(13)10-6-4-2-3-5-7-10/h6,8,11H,2-5,7,13H2,1H3.
What are the key properties of cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine?
cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 106657133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).