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

C18H14FN7OS2 — CID 121315783

IUPACN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2nnc(-c3ccccc3F)s2)nnc1-c1ccncc1
InChIInChI=1S/C18H14FN7OS2/c1-26-15(11-6-8-20-9-7-11)22-25-18(26)28-10-14(27)21-17-24-23-16(29-17)12-4-2-3-5-13(12)19/h2-9H,10H2,1H3,(H,21,24,27)
InChIKeyGXDLRTYYCOZPSL-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.27
Rot. Bonds6

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

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 121315783) has the molecular formula C18H14FN7OS2 and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID121315783
Molecular FormulaC18H14FN7OS2
Molecular Weight427.49 g/mol
Exact Mass427.07
IUPAC NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2nnc(-c3ccccc3F)s2)nnc1-c1ccncc1
InChIInChI=1S/C18H14FN7OS2/c1-26-15(11-6-8-20-9-7-11)22-25-18(26)28-10-14(27)21-17-24-23-16(29-17)12-4-2-3-5-13(12)19/h2-9H,10H2,1H3,(H,21,24,27)
InChIKeyGXDLRTYYCOZPSL-UHFFFAOYSA-N
XLogP3.27
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 25238927
2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 121315785
N-(9,10-dioxoanthracen-2-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16541573
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 9422534
2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 121315655
2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 17019321
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6498086
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 2685094
N-(2-benzylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7894986
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5046998
2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 4561210
N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1150570

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 121315783) is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)Nc2nnc(-c3ccccc3F)s2)nnc1-c1ccncc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is GXDLRTYYCOZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7OS2/c1-26-15(11-6-8-20-9-7-11)22-25-18(26)28-10-14(27)21-17-24-23-16(29-17)12-4-2-3-5-13(12)19/h2-9H,10H2,1H3,(H,21,24,27).
What are the key properties of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 427.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 121315783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).