N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H15N7OS2 — CID 3994085

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESC=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccnc1
InChIInChI=1S/C15H15N7OS2/c1-3-7-22-13(11-5-4-6-16-8-11)19-21-15(22)24-9-12(23)17-14-20-18-10(2)25-14/h3-6,8H,1,7,9H2,2H3,(H,17,20,23)
InChIKeyGVJSRRLJVZXRLJ-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.42
Rot. Bonds7

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 3994085) has the molecular formula C15H15N7OS2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID3994085
Molecular FormulaC15H15N7OS2
Molecular Weight373.47 g/mol
Exact Mass373.08
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESC=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccnc1
InChIInChI=1S/C15H15N7OS2/c1-3-7-22-13(11-5-4-6-16-8-11)19-21-15(22)24-9-12(23)17-14-20-18-10(2)25-14/h3-6,8H,1,7,9H2,2H3,(H,17,20,23)
InChIKeyGVJSRRLJVZXRLJ-UHFFFAOYSA-N
XLogP2.42
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl {[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
CID 865924
1-acetyl-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine
CID 2980597
1-[3-Pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one
CID 3978169
N-(2,4-difluorophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1265808
Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
2-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 645763
N-tert-butyl-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1154989
N-cyclopentyl-2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acetamide
CID 1154997
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1155032
1-[[2-[(4-Methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylthiourea
CID 2815107
2-(4-Butyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclopropyl-acetamide
CID 3212533
2-Methyl-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one
CID 3961312

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 3994085) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccnc1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is GVJSRRLJVZXRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS2/c1-3-7-22-13(11-5-4-6-16-8-11)19-21-15(22)24-9-12(23)17-14-20-18-10(2)25-14/h3-6,8H,1,7,9H2,2H3,(H,17,20,23).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 373.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 3994085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).