2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide

C18H20FN7O2S2 — CID 6500948

IUPAC2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCc1nnc(NC(=O)C(C)Sc2nnc(CCNC(=O)c3ccccc3F)n2C)s1
InChIInChI=1S/C18H20FN7O2S2/c1-10(15(27)21-17-24-22-11(2)30-17)29-18-25-23-14(26(18)3)8-9-20-16(28)12-6-4-5-7-13(12)19/h4-7,10H,8-9H2,1-3H3,(H,20,28)(H,21,24,27)
InChIKeyVTVUEJJCQGWXBM-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.21
Rot. Bonds8

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

2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide (PubChem CID 6500948) has the molecular formula C18H20FN7O2S2 and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
PubChem CID6500948
Molecular FormulaC18H20FN7O2S2
Molecular Weight449.54 g/mol
Exact Mass449.11
IUPAC Name2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCc1nnc(NC(=O)C(C)Sc2nnc(CCNC(=O)c3ccccc3F)n2C)s1
InChIInChI=1S/C18H20FN7O2S2/c1-10(15(27)21-17-24-22-11(2)30-17)29-18-25-23-14(26(18)3)8-9-20-16(28)12-6-4-5-7-13(12)19/h4-7,10H,8-9H2,1-3H3,(H,20,28)(H,21,24,27)
InChIKeyVTVUEJJCQGWXBM-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide (CID 6500948) is 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide is Cc1nnc(NC(=O)C(C)Sc2nnc(CCNC(=O)c3ccccc3F)n2C)s1.
What is the InChIKey of 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The InChIKey is VTVUEJJCQGWXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O2S2/c1-10(15(27)21-17-24-22-11(2)30-17)29-18-25-23-14(26(18)3)8-9-20-16(28)12-6-4-5-7-13(12)19/h4-7,10H,8-9H2,1-3H3,(H,20,28)(H,21,24,27).
What are the key properties of 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide?
2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide has a molecular weight of 449.54 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 6500948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).