1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C13H20N2S — CID 106652833

IUPAC1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)C2=CCCCCC2)n1
InChIInChI=1S/C13H20N2S/c1-10-9-16-13(15-10)8-12(14)11-6-4-2-3-5-7-11/h6,9,12H,2-5,7-8,14H2,1H3
InChIKeyWDCDPTLXYBGFHP-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.21
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 106652833) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID106652833
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)C2=CCCCCC2)n1
InChIInChI=1S/C13H20N2S/c1-10-9-16-13(15-10)8-12(14)11-6-4-2-3-5-7-11/h6,9,12H,2-5,7-8,14H2,1H3
InChIKeyWDCDPTLXYBGFHP-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.21
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

1-(cyclohexen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652839
1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 116660126
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
1-(4-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796349
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64989653
1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62795308
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 106652833) is 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CC(N)C2=CCCCCC2)n1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is WDCDPTLXYBGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-9-16-13(15-10)8-12(14)11-6-4-2-3-5-7-11/h6,9,12H,2-5,7-8,14H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 236.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 106652833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).