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

C16H13ClN4OS2 — CID 122190463

IUPACN-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4OS2/c1-10(14(22)19-13-4-2-12(17)3-5-13)23-16-21-20-15(24-16)11-6-8-18-9-7-11/h2-10H,1H3,(H,19,22)
InChIKeyMCAXKDICKCVTTN-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.37
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 122190463) has the molecular formula C16H13ClN4OS2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID122190463
Molecular FormulaC16H13ClN4OS2
Molecular Weight376.89 g/mol
Exact Mass376.02
IUPAC NameN-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4OS2/c1-10(14(22)19-13-4-2-12(17)3-5-13)23-16-21-20-15(24-16)11-6-8-18-9-7-11/h2-10H,1H3,(H,19,22)
InChIKeyMCAXKDICKCVTTN-UHFFFAOYSA-N
XLogP4.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 931186
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
CID 10021460
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10021461
N-(4-methylphenyl)-2-{[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetamide
CID 1258949
N-Phenyl-2-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide
CID 3163619
N-benzyl-2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 122190379
N-phenyl-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190466
N-benzyl-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190467
N-[(2-chlorophenyl)methyl]-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190468
N-[(4-chlorophenyl)methyl]-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190469
N-(2-chlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190470
N-(4-chlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190471

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 122190463) is N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is CC(Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is MCAXKDICKCVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS2/c1-10(14(22)19-13-4-2-12(17)3-5-13)23-16-21-20-15(24-16)11-6-8-18-9-7-11/h2-10H,1H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 376.89 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 122190463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).