5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C19H19F2N3OS2 — CID 53464461

IUPAC5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(-c2nc(C(=O)NCc3ccc(F)cc3)c(C(F)C(C)C)s2)s1
InChIInChI=1S/C19H19F2N3OS2/c1-10(2)14(21)16-15(24-19(27-16)18-23-8-11(3)26-18)17(25)22-9-12-4-6-13(20)7-5-12/h4-8,10,14H,9H2,1-3H3,(H,22,25)
InChIKeyBKEXFBCZCXFLCE-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.31
Rot. Bonds6

About 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53464461) has the molecular formula C19H19F2N3OS2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID53464461
Molecular FormulaC19H19F2N3OS2
Molecular Weight407.51 g/mol
Exact Mass407.09
IUPAC Name5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(-c2nc(C(=O)NCc3ccc(F)cc3)c(C(F)C(C)C)s2)s1
InChIInChI=1S/C19H19F2N3OS2/c1-10(2)14(21)16-15(24-19(27-16)18-23-8-11(3)26-18)17(25)22-9-12-4-6-13(20)7-5-12/h4-8,10,14H,9H2,1-3H3,(H,22,25)
InChIKeyBKEXFBCZCXFLCE-UHFFFAOYSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 53464461) is 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1cnc(-c2nc(C(=O)NCc3ccc(F)cc3)c(C(F)C(C)C)s2)s1.
What is the InChIKey of 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BKEXFBCZCXFLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS2/c1-10(2)14(21)16-15(24-19(27-16)18-23-8-11(3)26-18)17(25)22-9-12-4-6-13(20)7-5-12/h4-8,10,14H,9H2,1-3H3,(H,22,25).
What are the key properties of 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-2-methylpropyl)-N-[(4-fluorophenyl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53464461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).