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

C15H12FN3OS2 — CID 57309863

IUPAC5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nnc(-c2ccc(F)cc2)s1)c1cccs1
InChIInChI=1S/C15H12FN3OS2/c1-9(12-3-2-8-21-12)17-13(20)15-19-18-14(22-15)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,17,20)/t9-/m0/s1
InChIKeyUCPSOUUCKSEUNK-VIFPVBQESA-N
MW333.41 g/mol
LogP3.90
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 57309863) has the molecular formula C15H12FN3OS2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID57309863
Molecular FormulaC15H12FN3OS2
Molecular Weight333.41 g/mol
Exact Mass333.04
IUPAC Name5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nnc(-c2ccc(F)cc2)s1)c1cccs1
InChIInChI=1S/C15H12FN3OS2/c1-9(12-3-2-8-21-12)17-13(20)15-19-18-14(22-15)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,17,20)/t9-/m0/s1
InChIKeyUCPSOUUCKSEUNK-VIFPVBQESA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide (CID 57309863) is 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide is C[C@H](NC(=O)c1nnc(-c2ccc(F)cc2)s1)c1cccs1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UCPSOUUCKSEUNK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12FN3OS2/c1-9(12-3-2-8-21-12)17-13(20)15-19-18-14(22-15)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,17,20)/t9-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 57309863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).