2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide

C11H10FN3OS — CID 82171924

IUPAC2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)5-14-10(16)9-6-15-11(13)17-9/h1-4,6H,5H2,(H2,13,15)(H,14,16)
InChIKeyZYQGLOFXNUBVHD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.79
Rot. Bonds3

About 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide

2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 82171924) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID82171924
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)5-14-10(16)9-6-15-11(13)17-9/h1-4,6H,5H2,(H2,13,15)(H,14,16)
InChIKeyZYQGLOFXNUBVHD-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide (CID 82171924) is 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)NCc2ccc(F)cc2)s1.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZYQGLOFXNUBVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)5-14-10(16)9-6-15-11(13)17-9/h1-4,6H,5H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 82171924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).