N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C17H15ClN4OS2 — CID 122190387

IUPACN-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H15ClN4OS2/c1-11(15(23)20-10-13-4-2-3-5-14(13)18)24-17-22-21-16(25-17)12-6-8-19-9-7-12/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyIKUJVQNPQYWPKC-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.05
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 122190387) has the molecular formula C17H15ClN4OS2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID122190387
Molecular FormulaC17H15ClN4OS2
Molecular Weight390.92 g/mol
Exact Mass390.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H15ClN4OS2/c1-11(15(23)20-10-13-4-2-3-5-14(13)18)24-17-22-21-16(25-17)12-6-8-19-9-7-12/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyIKUJVQNPQYWPKC-UHFFFAOYSA-N
XLogP4.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide 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 N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 122190387) is N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is CC(Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is IKUJVQNPQYWPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS2/c1-11(15(23)20-10-13-4-2-3-5-14(13)18)24-17-22-21-16(25-17)12-6-8-19-9-7-12/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 390.92 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 122190387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).