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

C15H11FN2OS2 — CID 2180013

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1
InChIInChI=1S/C15H11FN2OS2/c16-11-5-3-10(4-6-11)8-12-9-17-15(21-12)18-14(19)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18,19)
InChIKeyFVGXPJXLXGLUSP-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.19
Rot. Bonds4

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 2180013) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID2180013
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1
InChIInChI=1S/C15H11FN2OS2/c16-11-5-3-10(4-6-11)8-12-9-17-15(21-12)18-14(19)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18,19)
InChIKeyFVGXPJXLXGLUSP-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 2180013) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is FVGXPJXLXGLUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c16-11-5-3-10(4-6-11)8-12-9-17-15(21-12)18-14(19)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18,19).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2180013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).