[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

C15H15F2N3OS2 — CID 67262628

IUPAC[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCSC2CN)c(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H15F2N3OS2/c1-8-19-13(15(21)20-4-5-22-12(20)7-18)14(23-8)9-2-3-10(16)11(17)6-9/h2-3,6,12H,4-5,7,18H2,1H3
InChIKeyREQFUVBMNQBZEG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.87
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 67262628) has the molecular formula C15H15F2N3OS2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID67262628
Molecular FormulaC15H15F2N3OS2
Molecular Weight355.44 g/mol
Exact Mass355.06
IUPAC Name[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCSC2CN)c(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H15F2N3OS2/c1-8-19-13(15(21)20-4-5-22-12(20)7-18)14(23-8)9-2-3-10(16)11(17)6-9/h2-3,6,12H,4-5,7,18H2,1H3
InChIKeyREQFUVBMNQBZEG-UHFFFAOYSA-N
XLogP2.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 67262628) is [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2CCSC2CN)c(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is REQFUVBMNQBZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3OS2/c1-8-19-13(15(21)20-4-5-22-12(20)7-18)14(23-8)9-2-3-10(16)11(17)6-9/h2-3,6,12H,4-5,7,18H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 67262628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).