4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine

C13H11Cl2FN2S — CID 107577212

IUPAC4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2cc(Cl)c(F)c(Cl)c2)s1
InChIInChI=1S/C13H11Cl2FN2S/c14-8-3-6(4-9(15)11(8)16)5-10-12(7-1-2-7)18-13(17)19-10/h3-4,7H,1-2,5H2,(H2,17,18)
InChIKeyJYYONJGAWULCCY-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.64
Rot. Bonds3

About 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine

4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 107577212) has the molecular formula C13H11Cl2FN2S and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID107577212
Molecular FormulaC13H11Cl2FN2S
Molecular Weight317.22 g/mol
Exact Mass316.00
IUPAC Name4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2cc(Cl)c(F)c(Cl)c2)s1
InChIInChI=1S/C13H11Cl2FN2S/c14-8-3-6(4-9(15)11(8)16)5-10-12(7-1-2-7)18-13(17)19-10/h3-4,7H,1-2,5H2,(H2,17,18)
InChIKeyJYYONJGAWULCCY-UHFFFAOYSA-N
XLogP4.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 62065732
5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 107530836
4-cyclopropyl-5-[(2,4,6-trichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 63399667
4-cyclopropyl-5-[(2,4,5-trichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 63399669
4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 62065197
4-cyclopropyl-5-[(2,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62811301
4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 104727925
5-[(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-fluorobenzonitrile
CID 62316337
4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 47003341
5-[(4-bromo-2,5-difluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 107615264
4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 47003100
4-cyclopropyl-5-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066656

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 107577212) is 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(C2CC2)c(Cc2cc(Cl)c(F)c(Cl)c2)s1.
What is the InChIKey of 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JYYONJGAWULCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2S/c14-8-3-6(4-9(15)11(8)16)5-10-12(7-1-2-7)18-13(17)19-10/h3-4,7H,1-2,5H2,(H2,17,18).
What are the key properties of 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 317.22 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107577212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).