N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C14H22N6OS2 — CID 1303437

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC(C)Cc1nc(SCC(=O)Nc2nnc(CC(C)C)s2)n[nH]1
InChIInChI=1S/C14H22N6OS2/c1-8(2)5-10-15-13(19-17-10)22-7-11(21)16-14-20-18-12(23-14)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,15,17,19)(H,16,20,21)
InChIKeyRGPKNBKLMLPZKF-UHFFFAOYSA-N
MW354.51 g/mol
LogP2.78
Rot. Bonds8

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 1303437) has the molecular formula C14H22N6OS2 and a molecular weight of 354.51 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID1303437
Molecular FormulaC14H22N6OS2
Molecular Weight354.51 g/mol
Exact Mass354.13
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC(C)Cc1nc(SCC(=O)Nc2nnc(CC(C)C)s2)n[nH]1
InChIInChI=1S/C14H22N6OS2/c1-8(2)5-10-15-13(19-17-10)22-7-11(21)16-14-20-18-12(23-14)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,15,17,19)(H,16,20,21)
InChIKeyRGPKNBKLMLPZKF-UHFFFAOYSA-N
XLogP2.78
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2215160
N-(5-Isopropyl-1,3,4-thiadiazol-2-YL)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)sulfanyl]acetamide
CID 6492034
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide
CID 750824
2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2986125
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 975703
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6470582
2-(5-Ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 6492035
2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1238478
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-isobutyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 699029
2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1122122
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 582062
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 969741

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 1303437) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC(C)Cc1nc(SCC(=O)Nc2nnc(CC(C)C)s2)n[nH]1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is RGPKNBKLMLPZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6OS2/c1-8(2)5-10-15-13(19-17-10)22-7-11(21)16-14-20-18-12(23-14)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,15,17,19)(H,16,20,21).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 354.51 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1303437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).