N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H14N6OS2 — CID 877797

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1
InChIInChI=1S/C10H14N6OS2/c1-10(2,3)7-14-16-9(19-7)13-6(17)4-18-8-11-5-12-15-8/h5H,4H2,1-3H3,(H,11,12,15)(H,13,16,17)
InChIKeyQYDYHQSXAZXNDE-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.68
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 877797) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID877797
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1
InChIInChI=1S/C10H14N6OS2/c1-10(2,3)7-14-16-9(19-7)13-6(17)4-18-8-11-5-12-15-8/h5H,4H2,1-3H3,(H,11,12,15)(H,13,16,17)
InChIKeyQYDYHQSXAZXNDE-UHFFFAOYSA-N
XLogP1.68
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 6492034
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 767229
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2258276
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 4106605
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 975703
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 3540339
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2215350
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 582165
2-[(4-Methyl-4H-1,2,4-triazol-3-YL)sulfanyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-YL)acetamide
CID 712472
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1255829
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 694734
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 1240968

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 877797) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CC(C)(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is QYDYHQSXAZXNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-10(2,3)7-14-16-9(19-7)13-6(17)4-18-8-11-5-12-15-8/h5H,4H2,1-3H3,(H,11,12,15)(H,13,16,17).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 298.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 877797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).