N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide

C9H10N4O2S2 — CID 86788341

IUPACN-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nsc(NC(=O)c2scnc2C)n1
InChIInChI=1S/C9H10N4O2S2/c1-5-7(16-4-10-5)8(14)12-9-11-6(3-15-2)13-17-9/h4H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyNESWAHYWFPBMTD-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.70
Rot. Bonds4

About N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 86788341) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID86788341
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC NameN-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nsc(NC(=O)c2scnc2C)n1
InChIInChI=1S/C9H10N4O2S2/c1-5-7(16-4-10-5)8(14)12-9-11-6(3-15-2)13-17-9/h4H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyNESWAHYWFPBMTD-UHFFFAOYSA-N
XLogP1.70
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 86788341) is N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide is COCc1nsc(NC(=O)c2scnc2C)n1.
What is the InChIKey of N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NESWAHYWFPBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c1-5-7(16-4-10-5)8(14)12-9-11-6(3-15-2)13-17-9/h4H,3H2,1-2H3,(H,11,12,13,14).
What are the key properties of N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86788341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).