4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C19H15FN4O2S2 — CID 19469579

IUPAC4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCn1nccc1-c1csc(NC(=O)c2cc(COc3ccc(F)cc3)cs2)n1
InChIInChI=1S/C19H15FN4O2S2/c1-24-16(6-7-21-24)15-11-28-19(22-15)23-18(25)17-8-12(10-27-17)9-26-14-4-2-13(20)3-5-14/h2-8,10-11H,9H2,1H3,(H,22,23,25)
InChIKeyXSSKJFZPVKCDCS-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.58
Rot. Bonds6

About 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 19469579) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID19469579
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCn1nccc1-c1csc(NC(=O)c2cc(COc3ccc(F)cc3)cs2)n1
InChIInChI=1S/C19H15FN4O2S2/c1-24-16(6-7-21-24)15-11-28-19(22-15)23-18(25)17-8-12(10-27-17)9-26-14-4-2-13(20)3-5-14/h2-8,10-11H,9H2,1H3,(H,22,23,25)
InChIKeyXSSKJFZPVKCDCS-UHFFFAOYSA-N
XLogP4.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 19469579) is 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cn1nccc1-c1csc(NC(=O)c2cc(COc3ccc(F)cc3)cs2)n1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is XSSKJFZPVKCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-24-16(6-7-21-24)15-11-28-19(22-15)23-18(25)17-8-12(10-27-17)9-26-14-4-2-13(20)3-5-14/h2-8,10-11H,9H2,1H3,(H,22,23,25).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19469579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).