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

C16H13ClN4OS2 — CID 122190470

IUPACN-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccccc1Cl
InChIInChI=1S/C16H13ClN4OS2/c17-12-3-1-2-4-13(12)19-14(22)7-10-23-16-21-20-15(24-16)11-5-8-18-9-6-11/h1-6,8-9H,7,10H2,(H,19,22)
InChIKeyTTYLMZDNGTWQBN-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.37
Rot. Bonds6

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

N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 122190470) has the molecular formula C16H13ClN4OS2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID122190470
Molecular FormulaC16H13ClN4OS2
Molecular Weight376.89 g/mol
Exact Mass376.02
IUPAC NameN-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccccc1Cl
InChIInChI=1S/C16H13ClN4OS2/c17-12-3-1-2-4-13(12)19-14(22)7-10-23-16-21-20-15(24-16)11-5-8-18-9-6-11/h1-6,8-9H,7,10H2,(H,19,22)
InChIKeyTTYLMZDNGTWQBN-UHFFFAOYSA-N
XLogP4.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

6-(2-Chloroanilino)-4-oxo-2-pyridin-4-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile
CID 342613
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-(4-chlorophenyl)-2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190463
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-(4-chlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190471
N-(2,6-dichlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 122190472
N-(2,4-dichlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190473

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 122190470) is N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is O=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is TTYLMZDNGTWQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS2/c17-12-3-1-2-4-13(12)19-14(22)7-10-23-16-21-20-15(24-16)11-5-8-18-9-6-11/h1-6,8-9H,7,10H2,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-(2-chlorophenyl)-3-[(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, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 122190470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).