N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H18N6OS2 — CID 9458727

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CSc2ncnn2-c2ccccc2)s1
InChIInChI=1S/C16H18N6OS2/c1-16(2,3)13-20-21-14(25-13)19-12(23)9-24-15-17-10-18-22(15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,21,23)
InChIKeyHMAVCSBOLFEDBY-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.15
Rot. Bonds5

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 9458727) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID9458727
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CSc2ncnn2-c2ccccc2)s1
InChIInChI=1S/C16H18N6OS2/c1-16(2,3)13-20-21-14(25-13)19-12(23)9-24-15-17-10-18-22(15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,21,23)
InChIKeyHMAVCSBOLFEDBY-UHFFFAOYSA-N
XLogP3.15
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1096329
2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55908702
N-(2-chloro-3-pyridinyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9458717
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 1122478
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 9458694
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592
N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
CID 2005532
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 55953871
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9458997
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45493521
2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6458214

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 9458727) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)(C)c1nnc(NC(=O)CSc2ncnn2-c2ccccc2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HMAVCSBOLFEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c1-16(2,3)13-20-21-14(25-13)19-12(23)9-24-15-17-10-18-22(15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,21,23).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 374.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 9458727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).