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

C17H15FN2OS2 — CID 34153101

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C17H15FN2OS2/c1-11(12-3-5-14(18)6-4-12)20(2)17(21)15-10-23-16(19-15)13-7-8-22-9-13/h3-11H,1-2H3/t11-/m0/s1
InChIKeyZVEMFYUFDBBRKW-NSHDSACASA-N
MW346.45 g/mol
LogP4.84
Rot. Bonds4

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

N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 34153101) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID34153101
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C17H15FN2OS2/c1-11(12-3-5-14(18)6-4-12)20(2)17(21)15-10-23-16(19-15)13-7-8-22-9-13/h3-11H,1-2H3/t11-/m0/s1
InChIKeyZVEMFYUFDBBRKW-NSHDSACASA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 34153101) is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZVEMFYUFDBBRKW-NSHDSACASA-N. The full InChI is InChI=1S/C17H15FN2OS2/c1-11(12-3-5-14(18)6-4-12)20(2)17(21)15-10-23-16(19-15)13-7-8-22-9-13/h3-11H,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 34153101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).