N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline

C16H19ClN2OS — CID 168583349

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline
SMILESClc1ncc(CNc2ccccc2OC2CCCCC2)s1
InChIInChI=1S/C16H19ClN2OS/c17-16-19-11-13(21-16)10-18-14-8-4-5-9-15(14)20-12-6-2-1-3-7-12/h4-5,8-9,11-12,18H,1-3,6-7,10H2
InChIKeyAQRQDUIYFNPNJS-UHFFFAOYSA-N
MW322.86 g/mol
LogP5.12
Rot. Bonds5

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline (PubChem CID 168583349) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline
PubChem CID168583349
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline
SMILESClc1ncc(CNc2ccccc2OC2CCCCC2)s1
InChIInChI=1S/C16H19ClN2OS/c17-16-19-11-13(21-16)10-18-14-8-4-5-9-15(14)20-12-6-2-1-3-7-12/h4-5,8-9,11-12,18H,1-3,6-7,10H2
InChIKeyAQRQDUIYFNPNJS-UHFFFAOYSA-N
XLogP5.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline (CID 168583349) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline is Clc1ncc(CNc2ccccc2OC2CCCCC2)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline?
The InChIKey is AQRQDUIYFNPNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c17-16-19-11-13(21-16)10-18-14-8-4-5-9-15(14)20-12-6-2-1-3-7-12/h4-5,8-9,11-12,18H,1-3,6-7,10H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline has a molecular weight of 322.86 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline is sourced from PubChem (CID 168583349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).