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

C13H12ClFN2S — CID 107530836

IUPAC5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2cc(F)ccc2Cl)s1
InChIInChI=1S/C13H12ClFN2S/c14-10-4-3-9(15)5-8(10)6-11-12(7-1-2-7)17-13(16)18-11/h3-5,7H,1-2,6H2,(H2,16,17)
InChIKeyUZDYCMUQZBLQHN-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.99
Rot. Bonds3

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

5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 107530836) has the molecular formula C13H12ClFN2S and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
PubChem CID107530836
Molecular FormulaC13H12ClFN2S
Molecular Weight282.77 g/mol
Exact Mass282.04
IUPAC Name5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2cc(F)ccc2Cl)s1
InChIInChI=1S/C13H12ClFN2S/c14-10-4-3-9(15)5-8(10)6-11-12(7-1-2-7)17-13(16)18-11/h3-5,7H,1-2,6H2,(H2,16,17)
InChIKeyUZDYCMUQZBLQHN-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 62065197
4-cyclopropyl-5-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066656
4-cyclopropyl-5-[(2,4,5-trichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 63399669
4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 104727925
4-cyclopropyl-5-[(3,5-dichloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 107577212
4-cyclopropyl-5-[(2,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62811301
4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 47003341
4-cyclopropyl-5-[(2,4,6-trichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 63399667
4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 107530840
5-[(4-bromo-2,5-difluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 107615264
5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 62065732
4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 66477956

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine (CID 107530836) is 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine is Nc1nc(C2CC2)c(Cc2cc(F)ccc2Cl)s1.
What is the InChIKey of 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is UZDYCMUQZBLQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2S/c14-10-4-3-9(15)5-8(10)6-11-12(7-1-2-7)17-13(16)18-11/h3-5,7H,1-2,6H2,(H2,16,17).
What are the key properties of 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 282.77 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107530836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).