1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine

C12H20N2S — CID 62040435

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCc1csc(C2(N)CCCCCC2)n1
InChIInChI=1S/C12H20N2S/c1-2-10-9-15-11(14-10)12(13)7-5-3-4-6-8-12/h9H,2-8,13H2,1H3
InChIKeyHOTPORRWODQHKQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.21
Rot. Bonds2

About 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine

1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 62040435) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID62040435
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCc1csc(C2(N)CCCCCC2)n1
InChIInChI=1S/C12H20N2S/c1-2-10-9-15-11(14-10)12(13)7-5-3-4-6-8-12/h9H,2-8,13H2,1H3
InChIKeyHOTPORRWODQHKQ-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine (CID 62040435) is 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine is CCc1csc(C2(N)CCCCCC2)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is HOTPORRWODQHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-10-9-15-11(14-10)12(13)7-5-3-4-6-8-12/h9H,2-8,13H2,1H3.
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine?
1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 62040435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).