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

C13H13FN2S — CID 47003341

IUPAC4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2ccccc2F)s1
InChIInChI=1S/C13H13FN2S/c14-10-4-2-1-3-9(10)7-11-12(8-5-6-8)16-13(15)17-11/h1-4,8H,5-7H2,(H2,15,16)
InChIKeyVBFBPWQRGOPQQL-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.33
Rot. Bonds3

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

4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 47003341) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID47003341
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2ccccc2F)s1
InChIInChI=1S/C13H13FN2S/c14-10-4-2-1-3-9(10)7-11-12(8-5-6-8)16-13(15)17-11/h1-4,8H,5-7H2,(H2,15,16)
InChIKeyVBFBPWQRGOPQQL-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-5-[(2,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62811301
5-[(4-bromo-2,5-difluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 107615264
5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 107530836
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-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 66477956
5-[(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-fluorobenzonitrile
CID 62316337
4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 47003100
4-cyclopropyl-5-[(2,4,6-trichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 63399667

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 47003341) is 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(C2CC2)c(Cc2ccccc2F)s1.
What is the InChIKey of 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is VBFBPWQRGOPQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c14-10-4-2-1-3-9(10)7-11-12(8-5-6-8)16-13(15)17-11/h1-4,8H,5-7H2,(H2,15,16).
What are the key properties of 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 47003341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).