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

C17H15FN2OS2 — CID 7207745

IUPACN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccs1
InChIInChI=1S/C17H15FN2OS2/c1-11-14(8-9-19-16(21)15-3-2-10-22-15)23-17(20-11)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyMNQFUYUKUJHZMG-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.29
Rot. Bonds5

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

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide (PubChem CID 7207745) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
PubChem CID7207745
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccs1
InChIInChI=1S/C17H15FN2OS2/c1-11-14(8-9-19-16(21)15-3-2-10-22-15)23-17(20-11)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyMNQFUYUKUJHZMG-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide (CID 7207745) is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is MNQFUYUKUJHZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS2/c1-11-14(8-9-19-16(21)15-3-2-10-22-15)23-17(20-11)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7207745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).