4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine

C15H16ClFN2S — CID 114454504

IUPAC4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCCC2)nc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H16ClFN2S/c16-11-6-10(7-12(17)8-11)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2
InChIKeyPKBQRAHUQSHWRK-UHFFFAOYSA-N
MW310.82 g/mol
LogP5.23
Rot. Bonds2

About 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine

4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine (PubChem CID 114454504) has the molecular formula C15H16ClFN2S and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine
PubChem CID114454504
Molecular FormulaC15H16ClFN2S
Molecular Weight310.82 g/mol
Exact Mass310.07
IUPAC Name4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCCC2)nc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H16ClFN2S/c16-11-6-10(7-12(17)8-11)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2
InChIKeyPKBQRAHUQSHWRK-UHFFFAOYSA-N
XLogP5.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.82
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine
CID 63470218
4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine
CID 63469883
2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine
CID 63645196
4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine
CID 63469707
4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
CID 81166723
2-cyclopentyl-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-amine
CID 62076021
5-cyclohexyl-4-(3,5-difluorophenyl)-1,3-thiazol-2-amine
CID 82106734
5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine
CID 114454479
2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine
CID 79972611
2-cyclopentyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-amine
CID 65096025
2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
CID 114454627
2-cyclopentyl-4-(2,3-difluorophenyl)-1,3-thiazol-5-amine
CID 55234728

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine (CID 114454504) is 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine is Nc1sc(C2CCCCC2)nc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine?
The InChIKey is PKBQRAHUQSHWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c16-11-6-10(7-12(17)8-11)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2.
What are the key properties of 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine?
4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine has a molecular weight of 310.82 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine is sourced from PubChem (CID 114454504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).