5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide

C15H11F2N3OS2 — CID 56980290

IUPAC5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nnc(-c2ccc(F)cc2F)s1)c1cccs1
InChIInChI=1S/C15H11F2N3OS2/c1-8(12-3-2-6-22-12)18-13(21)15-20-19-14(23-15)10-5-4-9(16)7-11(10)17/h2-8H,1H3,(H,18,21)/t8-/m0/s1
InChIKeyROHPRPGQIFIREU-QMMMGPOBSA-N
MW351.40 g/mol
LogP4.04
Rot. Bonds4

About 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide

5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 56980290) has the molecular formula C15H11F2N3OS2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID56980290
Molecular FormulaC15H11F2N3OS2
Molecular Weight351.40 g/mol
Exact Mass351.03
IUPAC Name5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nnc(-c2ccc(F)cc2F)s1)c1cccs1
InChIInChI=1S/C15H11F2N3OS2/c1-8(12-3-2-6-22-12)18-13(21)15-20-19-14(23-15)10-5-4-9(16)7-11(10)17/h2-8H,1H3,(H,18,21)/t8-/m0/s1
InChIKeyROHPRPGQIFIREU-QMMMGPOBSA-N
XLogP4.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide (CID 56980290) is 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide is C[C@H](NC(=O)c1nnc(-c2ccc(F)cc2F)s1)c1cccs1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ROHPRPGQIFIREU-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H11F2N3OS2/c1-8(12-3-2-6-22-12)18-13(21)15-20-19-14(23-15)10-5-4-9(16)7-11(10)17/h2-8H,1H3,(H,18,21)/t8-/m0/s1.
What are the key properties of 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 56980290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).