N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C16H14N4O2S2 — CID 2990810

IUPACN-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc1
InChIInChI=1S/C16H14N4O2S2/c1-22-13-6-4-12(5-7-13)18-14(21)10-23-16-20-19-15(24-16)11-3-2-8-17-9-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeyJTTMULNEYBJGFA-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.34
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2990810) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID2990810
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC NameN-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc1
InChIInChI=1S/C16H14N4O2S2/c1-22-13-6-4-12(5-7-13)18-14(21)10-23-16-20-19-15(24-16)11-3-2-8-17-9-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeyJTTMULNEYBJGFA-UHFFFAOYSA-N
XLogP3.34
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-2-((2-oxo-1-(pyridin-3-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18581339
N-(2-methoxyphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 662138
1-Allyl-3-(4-methoxy-phenyl)-1-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-urea
CID 1076247
N-(4-methoxyphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1136179
1-(4-Methoxyphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 705307
N-(4-methoxyphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1150544
N-(2,5-dimethoxyphenyl)-2-{[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetamide
CID 1258683
4-amino-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 1545968
3-(4-Methoxyphenyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3242569
N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222457
N-(4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 979049
2-((4-Amino-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-meo-PH)acetamide
CID 1051760

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 2990810) is N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JTTMULNEYBJGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-22-13-6-4-12(5-7-13)18-14(21)10-23-16-20-19-15(24-16)11-3-2-8-17-9-11/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2990810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).