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

C13H13FN2S — CID 50989688

IUPAC4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C13H13FN2S/c14-10-5-1-8(2-6-10)7-11-12(9-3-4-9)16-13(15)17-11/h1-2,5-6,9H,3-4,7H2,(H2,15,16)
InChIKeyCTRGQBRBYCWKMM-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.33
Rot. Bonds3

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

4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 50989688) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID50989688
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C13H13FN2S/c14-10-5-1-8(2-6-10)7-11-12(9-3-4-9)16-13(15)17-11/h1-2,5-6,9H,3-4,7H2,(H2,15,16)
InChIKeyCTRGQBRBYCWKMM-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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 50989688) is 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1.
What is the InChIKey of 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CTRGQBRBYCWKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c14-10-5-1-8(2-6-10)7-11-12(9-3-4-9)16-13(15)17-11/h1-2,5-6,9H,3-4,7H2,(H2,15,16).
What are the key properties of 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-5-[(4-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-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 50989688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).