N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine

C15H20N2OS — CID 82103397

IUPACN-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
SMILESc1coc(-c2csc(CCNC3CCCCC3)n2)c1
InChIInChI=1S/C15H20N2OS/c1-2-5-12(6-3-1)16-9-8-15-17-13(11-19-15)14-7-4-10-18-14/h4,7,10-12,16H,1-3,5-6,8-9H2
InChIKeyYELLQKNQEQKXOE-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.87
Rot. Bonds5

About N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine (PubChem CID 82103397) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
PubChem CID82103397
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
SMILESc1coc(-c2csc(CCNC3CCCCC3)n2)c1
InChIInChI=1S/C15H20N2OS/c1-2-5-12(6-3-1)16-9-8-15-17-13(11-19-15)14-7-4-10-18-14/h4,7,10-12,16H,1-3,5-6,8-9H2
InChIKeyYELLQKNQEQKXOE-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine (CID 82103397) is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine is c1coc(-c2csc(CCNC3CCCCC3)n2)c1.
What is the InChIKey of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine?
The InChIKey is YELLQKNQEQKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-5-12(6-3-1)16-9-8-15-17-13(11-19-15)14-7-4-10-18-14/h4,7,10-12,16H,1-3,5-6,8-9H2.
What are the key properties of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine?
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine has a molecular weight of 276.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine is sourced from PubChem (CID 82103397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).