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

C18H19FN4OS2 — CID 118618430

IUPACN-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN1CCCC(Nc2nc3sc(C(=O)Nc4ccc(F)cc4)cc3s2)C1
InChIInChI=1S/C18H19FN4OS2/c1-23-8-2-3-13(10-23)21-18-22-17-15(26-18)9-14(25-17)16(24)20-12-6-4-11(19)5-7-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyISTDVFVGIPIRMJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.26
Rot. Bonds4

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

N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618430) has the molecular formula C18H19FN4OS2 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618430
Molecular FormulaC18H19FN4OS2
Molecular Weight390.51 g/mol
Exact Mass390.10
IUPAC NameN-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN1CCCC(Nc2nc3sc(C(=O)Nc4ccc(F)cc4)cc3s2)C1
InChIInChI=1S/C18H19FN4OS2/c1-23-8-2-3-13(10-23)21-18-22-17-15(26-18)9-14(25-17)16(24)20-12-6-4-11(19)5-7-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyISTDVFVGIPIRMJ-UHFFFAOYSA-N
XLogP4.26
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.26
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-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618430) is N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide is CN1CCCC(Nc2nc3sc(C(=O)Nc4ccc(F)cc4)cc3s2)C1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ISTDVFVGIPIRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS2/c1-23-8-2-3-13(10-23)21-18-22-17-15(26-18)9-14(25-17)16(24)20-12-6-4-11(19)5-7-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.26, 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-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).