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

C14H14N6O2S2 — CID 4071396

IUPACN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccccc1-c1nnc(NC(=O)CSc2nncn2C)s1
InChIInChI=1S/C14H14N6O2S2/c1-20-8-15-19-14(20)23-7-11(21)16-13-18-17-12(24-13)9-5-3-4-6-10(9)22-2/h3-6,8H,7H2,1-2H3,(H,16,18,21)
InChIKeyNBTQRWHHIAHWGI-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.07
Rot. Bonds6

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

N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 4071396) has the molecular formula C14H14N6O2S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID4071396
Molecular FormulaC14H14N6O2S2
Molecular Weight362.44 g/mol
Exact Mass362.06
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccccc1-c1nnc(NC(=O)CSc2nncn2C)s1
InChIInChI=1S/C14H14N6O2S2/c1-20-8-15-19-14(20)23-7-11(21)16-13-18-17-12(24-13)9-5-3-4-6-10(9)22-2/h3-6,8H,7H2,1-2H3,(H,16,18,21)
InChIKeyNBTQRWHHIAHWGI-UHFFFAOYSA-N
XLogP2.07
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 4252621
N-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 5310323
N-(5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)propanamide
CID 16194624
US10730865, Example 37
CID 132059866
US10730865, Example 26
CID 132059887
US10730865, Example 28
CID 132060035
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-(4-methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 646594
N-(5-Ethyl-1,3,4-thiadiazol-2-YL)-2-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-YL]sulfanyl}acetamide
CID 3236911
2-((4,5-dihydrothiazol-2-yl)thio)-N-(5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl)butanamide
CID 4651821
US10730865, Example 36
CID 132059843
US10730865, Example 46
CID 132059847
US10730865, Example 47
CID 132059864

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 4071396) is N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccccc1-c1nnc(NC(=O)CSc2nncn2C)s1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is NBTQRWHHIAHWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S2/c1-20-8-15-19-14(20)23-7-11(21)16-13-18-17-12(24-13)9-5-3-4-6-10(9)22-2/h3-6,8H,7H2,1-2H3,(H,16,18,21).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 362.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4071396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).