N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide

C14H17ClN4O3S — CID 133352469

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide
SMILESCOCc1nsc(N(C)CC(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H17ClN4O3S/c1-19(14-17-12(8-21-2)18-23-14)7-13(20)16-10-6-9(15)4-5-11(10)22-3/h4-6H,7-8H2,1-3H3,(H,16,20)
InChIKeyBXZHJLNALWKTCV-UHFFFAOYSA-N
MW356.84 g/mol
LogP2.42
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide (PubChem CID 133352469) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide
PubChem CID133352469
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide
SMILESCOCc1nsc(N(C)CC(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H17ClN4O3S/c1-19(14-17-12(8-21-2)18-23-14)7-13(20)16-10-6-9(15)4-5-11(10)22-3/h4-6H,7-8H2,1-3H3,(H,16,20)
InChIKeyBXZHJLNALWKTCV-UHFFFAOYSA-N
XLogP2.42
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide (CID 133352469) is N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide is COCc1nsc(N(C)CC(=O)Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide?
The InChIKey is BXZHJLNALWKTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-19(14-17-12(8-21-2)18-23-14)7-13(20)16-10-6-9(15)4-5-11(10)22-3/h4-6H,7-8H2,1-3H3,(H,16,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide has a molecular weight of 356.84 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide is sourced from PubChem (CID 133352469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).