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

C16H16ClN7O2S2 — CID 3164750

IUPACN-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
SMILESCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3Cl)n2C)s1
InChIInChI=1S/C16H16ClN7O2S2/c1-9-20-22-15(28-9)19-14(26)8-27-16-23-21-12(24(16)2)7-13(25)18-11-6-4-3-5-10(11)17/h3-6H,7-8H2,1-2H3,(H,18,25)(H,19,22,26)
InChIKeyQYHGYFUKLVDOFO-UHFFFAOYSA-N
MW437.94 g/mol
LogP2.54
Rot. Bonds7

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

N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 3164750) has the molecular formula C16H16ClN7O2S2 and a molecular weight of 437.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
PubChem CID3164750
Molecular FormulaC16H16ClN7O2S2
Molecular Weight437.94 g/mol
Exact Mass437.05
IUPAC NameN-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
SMILESCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3Cl)n2C)s1
InChIInChI=1S/C16H16ClN7O2S2/c1-9-20-22-15(28-9)19-14(26)8-27-16-23-21-12(24(16)2)7-13(25)18-11-6-4-3-5-10(11)17/h3-6H,7-8H2,1-2H3,(H,18,25)(H,19,22,26)
InChIKeyQYHGYFUKLVDOFO-UHFFFAOYSA-N
XLogP2.54
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.94
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide (CID 3164750) is N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide is Cc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3Cl)n2C)s1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is QYHGYFUKLVDOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O2S2/c1-9-20-22-15(28-9)19-14(26)8-27-16-23-21-12(24(16)2)7-13(25)18-11-6-4-3-5-10(11)17/h3-6H,7-8H2,1-2H3,(H,18,25)(H,19,22,26).
What are the key properties of N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide?
N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 437.94 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 3164750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).