2-(1-ethoxycycloheptyl)-1,3-thiazole

C12H19NOS — CID 116782694

IUPAC2-(1-ethoxycycloheptyl)-1,3-thiazole
SMILESCCOC1(c2nccs2)CCCCCC1
InChIInChI=1S/C12H19NOS/c1-2-14-12(11-13-9-10-15-11)7-5-3-4-6-8-12/h9-10H,2-8H2,1H3
InChIKeyMLYHVMLYOODXNW-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.73
Rot. Bonds3

About 2-(1-ethoxycycloheptyl)-1,3-thiazole

2-(1-ethoxycycloheptyl)-1,3-thiazole (PubChem CID 116782694) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-1,3-thiazole
PubChem CID116782694
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(1-ethoxycycloheptyl)-1,3-thiazole
SMILESCCOC1(c2nccs2)CCCCCC1
InChIInChI=1S/C12H19NOS/c1-2-14-12(11-13-9-10-15-11)7-5-3-4-6-8-12/h9-10H,2-8H2,1H3
InChIKeyMLYHVMLYOODXNW-UHFFFAOYSA-N
XLogP3.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 116770574
2-(1-ethoxycyclopentyl)-1,3-thiazol-4-amine
CID 116782573
N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
[1-(1-ethoxycyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105276383
methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 125113185
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
2-(1-ethoxycycloheptyl)-1H-pyrimidine-6-thione
CID 106476488
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039795
2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 79846998
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116762857

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-1,3-thiazole?
The IUPAC name of 2-(1-ethoxycycloheptyl)-1,3-thiazole (CID 116782694) is 2-(1-ethoxycycloheptyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-1,3-thiazole is CCOC1(c2nccs2)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-1,3-thiazole?
The InChIKey is MLYHVMLYOODXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-14-12(11-13-9-10-15-11)7-5-3-4-6-8-12/h9-10H,2-8H2,1H3.
What are the key properties of 2-(1-ethoxycycloheptyl)-1,3-thiazole?
2-(1-ethoxycycloheptyl)-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-1,3-thiazole is sourced from PubChem (CID 116782694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).