N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C18H18FN3O2S2 — CID 118618751

IUPACN-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(CO)CC3)nc2s1
InChIInChI=1S/C18H18FN3O2S2/c19-12-1-3-13(4-2-12)20-16(24)14-9-15-17(25-14)21-18(26-15)22-7-5-11(10-23)6-8-22/h1-4,9,11,23H,5-8,10H2,(H,20,24)
InChIKeyYFQODGYMIWTXSF-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.96
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618751) has the molecular formula C18H18FN3O2S2 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618751
Molecular FormulaC18H18FN3O2S2
Molecular Weight391.49 g/mol
Exact Mass391.08
IUPAC NameN-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(CO)CC3)nc2s1
InChIInChI=1S/C18H18FN3O2S2/c19-12-1-3-13(4-2-12)20-16(24)14-9-15-17(25-14)21-18(26-15)22-7-5-11(10-23)6-8-22/h1-4,9,11,23H,5-8,10H2,(H,20,24)
InChIKeyYFQODGYMIWTXSF-UHFFFAOYSA-N
XLogP3.96
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618751) is N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(CO)CC3)nc2s1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is YFQODGYMIWTXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S2/c19-12-1-3-13(4-2-12)20-16(24)14-9-15-17(25-14)21-18(26-15)22-7-5-11(10-23)6-8-22/h1-4,9,11,23H,5-8,10H2,(H,20,24).
What are the key properties of N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).