(2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide

C18H17N3OS2 — CID 124735356

IUPAC(2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide
SMILESC[C@@H](C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)c1cccs1
InChIInChI=1S/C18H17N3OS2/c1-12(14-8-5-11-23-14)15(22)19-17-21-20-16(24-17)18(9-10-18)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,19,21,22)/t12-/m1/s1
InChIKeyNNNRUDGUMWLMJG-GFCCVEGCSA-N
MW355.49 g/mol
LogP4.42
Rot. Bonds5

About (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide

(2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide (PubChem CID 124735356) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide
PubChem CID124735356
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC Name(2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide
SMILESC[C@@H](C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)c1cccs1
InChIInChI=1S/C18H17N3OS2/c1-12(14-8-5-11-23-14)15(22)19-17-21-20-16(24-17)18(9-10-18)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,19,21,22)/t12-/m1/s1
InChIKeyNNNRUDGUMWLMJG-GFCCVEGCSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide (CID 124735356) is (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide is C[C@@H](C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)c1cccs1.
What is the InChIKey of (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide?
The InChIKey is NNNRUDGUMWLMJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-12(14-8-5-11-23-14)15(22)19-17-21-20-16(24-17)18(9-10-18)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,19,21,22)/t12-/m1/s1.
What are the key properties of (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide?
(2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide has a molecular weight of 355.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 124735356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).