N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C13H15N7O3S — CID 110614633

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1cc(NC(=O)CNC(=O)CCc2nn3c(C)nnc3s2)no1
InChIInChI=1S/C13H15N7O3S/c1-7-5-9(19-23-7)15-11(22)6-14-10(21)3-4-12-18-20-8(2)16-17-13(20)24-12/h5H,3-4,6H2,1-2H3,(H,14,21)(H,15,19,22)
InChIKeyDWCMPWROMMPUJP-UHFFFAOYSA-N
MW349.38 g/mol
LogP0.48
Rot. Bonds6

About N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110614633) has the molecular formula C13H15N7O3S and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110614633
Molecular FormulaC13H15N7O3S
Molecular Weight349.38 g/mol
Exact Mass349.10
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1cc(NC(=O)CNC(=O)CCc2nn3c(C)nnc3s2)no1
InChIInChI=1S/C13H15N7O3S/c1-7-5-9(19-23-7)15-11(22)6-14-10(21)3-4-12-18-20-8(2)16-17-13(20)24-12/h5H,3-4,6H2,1-2H3,(H,14,21)(H,15,19,22)
InChIKeyDWCMPWROMMPUJP-UHFFFAOYSA-N
XLogP0.48
TPSA127.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110614633) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is Cc1cc(NC(=O)CNC(=O)CCc2nn3c(C)nnc3s2)no1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is DWCMPWROMMPUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O3S/c1-7-5-9(19-23-7)15-11(22)6-14-10(21)3-4-12-18-20-8(2)16-17-13(20)24-12/h5H,3-4,6H2,1-2H3,(H,14,21)(H,15,19,22).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 349.38 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110614633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).