4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine

C13H22N2S — CID 65088346

IUPAC4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
SMILESCCC1CCCC(NCc2cscn2)CC1
InChIInChI=1S/C13H22N2S/c1-2-11-4-3-5-12(7-6-11)14-8-13-9-16-10-15-13/h9-12,14H,2-8H2,1H3
InChIKeyCCBZMKJVJCCAIU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.59
Rot. Bonds4

About 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine

4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine (PubChem CID 65088346) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
PubChem CID65088346
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
SMILESCCC1CCCC(NCc2cscn2)CC1
InChIInChI=1S/C13H22N2S/c1-2-11-4-3-5-12(7-6-11)14-8-13-9-16-10-15-13/h9-12,14H,2-8H2,1H3
InChIKeyCCBZMKJVJCCAIU-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine (CID 65088346) is 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine is CCC1CCCC(NCc2cscn2)CC1.
What is the InChIKey of 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine?
The InChIKey is CCBZMKJVJCCAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-11-4-3-5-12(7-6-11)14-8-13-9-16-10-15-13/h9-12,14H,2-8H2,1H3.
What are the key properties of 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine?
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65088346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).