propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate

C19H24FN3O2S — CID 169263311

IUPACpropan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N)cc3F)s2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-11(2)25-19(24)23-14-6-3-12(4-7-14)18-22-10-17(26-18)15-8-5-13(21)9-16(15)20/h5,8-12,14H,3-4,6-7,21H2,1-2H3,(H,23,24)
InChIKeyCZUKLXXAXVHMEK-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.69
Rot. Bonds4

About propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 169263311) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
PubChem CID169263311
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Namepropan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N)cc3F)s2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-11(2)25-19(24)23-14-6-3-12(4-7-14)18-22-10-17(26-18)15-8-5-13(21)9-16(15)20/h5,8-12,14H,3-4,6-7,21H2,1-2H3,(H,23,24)
InChIKeyCZUKLXXAXVHMEK-UHFFFAOYSA-N
XLogP4.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[4-[5-[2-fluoro-4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263435
propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263363
propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262003
propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 170361875
propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 170361952
propan-2-yl N-[4-[5-[4-(2-aminoethoxy)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115533
propan-2-yl N-[4-[5-[4-carbamoyl-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100692
propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100749
diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 160909391
propan-2-yl N-[3-diethylphosphoryl-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 156832426
propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-(2-fluoro-4-methylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169228286
azane;methane;propan-2-yl N-[4-[5-(2-chlorosulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-(2-sulfamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;hydrate
CID 167702923

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 169263311) is propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N)cc3F)s2)CC1.
What is the InChIKey of propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The InChIKey is CZUKLXXAXVHMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-11(2)25-19(24)23-14-6-3-12(4-7-14)18-22-10-17(26-18)15-8-5-13(21)9-16(15)20/h5,8-12,14H,3-4,6-7,21H2,1-2H3,(H,23,24).
What are the key properties of propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?
propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 377.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 169263311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).