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

C17H21FN2S — CID 82103393

IUPACN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
SMILESFc1ccc(-c2csc(CCNC3CCCCC3)n2)cc1
InChIInChI=1S/C17H21FN2S/c18-14-8-6-13(7-9-14)16-12-21-17(20-16)10-11-19-15-4-2-1-3-5-15/h6-9,12,15,19H,1-5,10-11H2
InChIKeyLYQROFZFBFJNJH-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.41
Rot. Bonds5

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

N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine (PubChem CID 82103393) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
PubChem CID82103393
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
SMILESFc1ccc(-c2csc(CCNC3CCCCC3)n2)cc1
InChIInChI=1S/C17H21FN2S/c18-14-8-6-13(7-9-14)16-12-21-17(20-16)10-11-19-15-4-2-1-3-5-15/h6-9,12,15,19H,1-5,10-11H2
InChIKeyLYQROFZFBFJNJH-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103497
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
CID 82103397
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
CID 82117610
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110625112
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thian-3-amine
CID 86787560
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 110675566
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778344

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine (CID 82103393) is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine is Fc1ccc(-c2csc(CCNC3CCCCC3)n2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine?
The InChIKey is LYQROFZFBFJNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c18-14-8-6-13(7-9-14)16-12-21-17(20-16)10-11-19-15-4-2-1-3-5-15/h6-9,12,15,19H,1-5,10-11H2.
What are the key properties of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine?
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine has a molecular weight of 304.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine is sourced from PubChem (CID 82103393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).