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

C17H16N4O3S2 — CID 1258683

IUPACN-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccnc3)s2)c1
InChIInChI=1S/C17H16N4O3S2/c1-23-12-5-6-14(24-2)13(8-12)19-15(22)10-25-17-21-20-16(26-17)11-4-3-7-18-9-11/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyPIRWYTXHFGGKEP-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.35
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 1258683) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID1258683
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccnc3)s2)c1
InChIInChI=1S/C17H16N4O3S2/c1-23-12-5-6-14(24-2)13(8-12)19-15(22)10-25-17-21-20-16(26-17)11-4-3-7-18-9-11/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyPIRWYTXHFGGKEP-UHFFFAOYSA-N
XLogP3.35
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-Methoxy-phenyl)-2-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide
CID 2990810
N-(2,5-diethoxyphenyl)-2-[(2-pyridin-2-ylethyl)thio]acetamide
CID 3275371
N-(2,5-Diethoxy-phenyl)-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 649342
N-(2,5-dimethoxyphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
CID 2985610
N-(2,5-dimethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222455
N-(2-methoxyphenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
CID 992131
N-(2,5-Dimethoxyphenyl)-2-((3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)thio)acetamide
CID 1119459
N-(2-methoxyphenyl)-2-((6-(4-methyl-2-(pyridin-3-yl)thiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16916895
N-(2,5-dimethoxyphenyl)-2-{[5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 1266456
N-(2,5-Dimethoxyphenyl)-2-{[6-(pyridin-2-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 20900486
(2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 137331514
N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 46813127

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 1258683) is N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccnc3)s2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PIRWYTXHFGGKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-23-12-5-6-14(24-2)13(8-12)19-15(22)10-25-17-21-20-16(26-17)11-4-3-7-18-9-11/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1258683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).