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

C14H13N5OS3 — CID 2187236

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nnc(SCCC(=O)Nc2nc(-c3ccccc3)ns2)s1
InChIInChI=1S/C14H13N5OS3/c1-9-17-18-14(22-9)21-8-7-11(20)15-13-16-12(19-23-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16,19,20)
InChIKeyLNMRPGULDBJBFF-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.49
Rot. Bonds6

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

3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 2187236) has the molecular formula C14H13N5OS3 and a molecular weight of 363.49 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID2187236
Molecular FormulaC14H13N5OS3
Molecular Weight363.49 g/mol
Exact Mass363.03
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nnc(SCCC(=O)Nc2nc(-c3ccccc3)ns2)s1
InChIInChI=1S/C14H13N5OS3/c1-9-17-18-14(22-9)21-8-7-11(20)15-13-16-12(19-23-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16,19,20)
InChIKeyLNMRPGULDBJBFF-UHFFFAOYSA-N
XLogP3.49
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (CID 2187236) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is Cc1nnc(SCCC(=O)Nc2nc(-c3ccccc3)ns2)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is LNMRPGULDBJBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS3/c1-9-17-18-14(22-9)21-8-7-11(20)15-13-16-12(19-23-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16,19,20).
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 363.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 2187236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).