N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide

C12H14N4O2S — CID 19224449

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(C)cc(C)n2)s1
InChIInChI=1S/C12H14N4O2S/c1-7-4-8(2)13-9(5-7)11(17)14-12-16-15-10(19-12)6-18-3/h4-5H,6H2,1-3H3,(H,14,16,17)
InChIKeySZYYRYWEDCRYEA-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.95
Rot. Bonds4

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide (PubChem CID 19224449) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
PubChem CID19224449
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(C)cc(C)n2)s1
InChIInChI=1S/C12H14N4O2S/c1-7-4-8(2)13-9(5-7)11(17)14-12-16-15-10(19-12)6-18-3/h4-5H,6H2,1-3H3,(H,14,16,17)
InChIKeySZYYRYWEDCRYEA-UHFFFAOYSA-N
XLogP1.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide (CID 19224449) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide is COCc1nnc(NC(=O)c2cc(C)cc(C)n2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide?
The InChIKey is SZYYRYWEDCRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-4-8(2)13-9(5-7)11(17)14-12-16-15-10(19-12)6-18-3/h4-5H,6H2,1-3H3,(H,14,16,17).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 19224449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).