N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C16H13FN2OS2 — CID 9091249

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H13FN2OS2/c1-19(8-11-4-2-3-5-13(11)17)16(20)14-10-22-15(18-14)12-6-7-21-9-12/h2-7,9-10H,8H2,1H3
InChIKeyUHLKMQIVWMYGEW-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.28
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 9091249) has the molecular formula C16H13FN2OS2 and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID9091249
Molecular FormulaC16H13FN2OS2
Molecular Weight332.43 g/mol
Exact Mass332.05
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H13FN2OS2/c1-19(8-11-4-2-3-5-13(11)17)16(20)14-10-22-15(18-14)12-6-7-21-9-12/h2-7,9-10H,8H2,1H3
InChIKeyUHLKMQIVWMYGEW-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 9091249) is N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CN(Cc1ccccc1F)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UHLKMQIVWMYGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS2/c1-19(8-11-4-2-3-5-13(11)17)16(20)14-10-22-15(18-14)12-6-7-21-9-12/h2-7,9-10H,8H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9091249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).