N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine

C20H22N2S — CID 53272820

IUPACN-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine
SMILESc1ccc2c(-c3cnc(CNC4CCCCC4)s3)cccc2c1
InChIInChI=1S/C20H22N2S/c1-2-9-16(10-3-1)21-14-20-22-13-19(23-20)18-12-6-8-15-7-4-5-11-17(15)18/h4-8,11-13,16,21H,1-3,9-10,14H2
InChIKeyANTJUNAEECRKSG-UHFFFAOYSA-N
MW322.48 g/mol
LogP5.39
Rot. Bonds4

About N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine

N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine (PubChem CID 53272820) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine
PubChem CID53272820
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC NameN-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine
SMILESc1ccc2c(-c3cnc(CNC4CCCCC4)s3)cccc2c1
InChIInChI=1S/C20H22N2S/c1-2-9-16(10-3-1)21-14-20-22-13-19(23-20)18-12-6-8-15-7-4-5-11-17(15)18/h4-8,11-13,16,21H,1-3,9-10,14H2
InChIKeyANTJUNAEECRKSG-UHFFFAOYSA-N
XLogP5.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine (CID 53272820) is N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine is c1ccc2c(-c3cnc(CNC4CCCCC4)s3)cccc2c1.
What is the InChIKey of N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine?
The InChIKey is ANTJUNAEECRKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2S/c1-2-9-16(10-3-1)21-14-20-22-13-19(23-20)18-12-6-8-15-7-4-5-11-17(15)18/h4-8,11-13,16,21H,1-3,9-10,14H2.
What are the key properties of N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine?
N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine has a molecular weight of 322.48 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 53272820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).