2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C15H18FN3OS2 — CID 4680245

IUPAC2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H18FN3OS2/c1-21-7-6-12(17)15-19-13(9-22-15)14(20)18-8-10-2-4-11(16)5-3-10/h2-5,9,12H,6-8,17H2,1H3,(H,18,20)
InChIKeyTZYDVSLZUDJQQO-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.97
Rot. Bonds7

About 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 4680245) has the molecular formula C15H18FN3OS2 and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID4680245
Molecular FormulaC15H18FN3OS2
Molecular Weight339.46 g/mol
Exact Mass339.09
IUPAC Name2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H18FN3OS2/c1-21-7-6-12(17)15-19-13(9-22-15)14(20)18-8-10-2-4-11(16)5-3-10/h2-5,9,12H,6-8,17H2,1H3,(H,18,20)
InChIKeyTZYDVSLZUDJQQO-UHFFFAOYSA-N
XLogP2.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-3-methylsulfanylpropyl)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4597088
2-(1-amino-3-methylsulfanylpropyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3852970
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
2-(1-aminobutyl)-N-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3790285
2-(1-amino-3-methylbutyl)-N-[(3,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3695889
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
2-(1-aminobutyl)-N-[(3-iodophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3489528
2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide
CID 3861951
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 3863772
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-(1-amino-3-methylsulfanylpropyl)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1,3-thiazole-4-carboxamide
CID 3856239

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 4680245) is 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is CSCCC(N)c1nc(C(=O)NCc2ccc(F)cc2)cs1.
What is the InChIKey of 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is TZYDVSLZUDJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS2/c1-21-7-6-12(17)15-19-13(9-22-15)14(20)18-8-10-2-4-11(16)5-3-10/h2-5,9,12H,6-8,17H2,1H3,(H,18,20).
What are the key properties of 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4680245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).