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

C18H20FN7O2S2 — CID 6495181

IUPACN-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
SMILESCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1C(C)NC(=O)c1ccccc1F
InChIInChI=1S/C18H20FN7O2S2/c1-4-26-15(10(2)20-16(28)12-7-5-6-8-13(12)19)23-25-18(26)29-9-14(27)21-17-24-22-11(3)30-17/h5-8,10H,4,9H2,1-3H3,(H,20,28)(H,21,24,27)
InChIKeyPDHAQZYUGDXWEL-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.82
Rot. Bonds8

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

N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide (PubChem CID 6495181) has the molecular formula C18H20FN7O2S2 and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
PubChem CID6495181
Molecular FormulaC18H20FN7O2S2
Molecular Weight449.54 g/mol
Exact Mass449.11
IUPAC NameN-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
SMILESCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1C(C)NC(=O)c1ccccc1F
InChIInChI=1S/C18H20FN7O2S2/c1-4-26-15(10(2)20-16(28)12-7-5-6-8-13(12)19)23-25-18(26)29-9-14(27)21-17-24-22-11(3)30-17/h5-8,10H,4,9H2,1-3H3,(H,20,28)(H,21,24,27)
InChIKeyPDHAQZYUGDXWEL-UHFFFAOYSA-N
XLogP2.82
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide (CID 6495181) is N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide is CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1C(C)NC(=O)c1ccccc1F.
What is the InChIKey of N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide?
The InChIKey is PDHAQZYUGDXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O2S2/c1-4-26-15(10(2)20-16(28)12-7-5-6-8-13(12)19)23-25-18(26)29-9-14(27)21-17-24-22-11(3)30-17/h5-8,10H,4,9H2,1-3H3,(H,20,28)(H,21,24,27).
What are the key properties of N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide?
N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide has a molecular weight of 449.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 6495181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).