N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

C8H13N3O2S — CID 734582

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCOCc1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C8H13N3O2S/c1-5(2)7(12)9-8-11-10-6(14-8)4-13-3/h5H,4H2,1-3H3,(H,9,11,12)
InChIKeySVSLAKYMHSLFNF-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.28
Rot. Bonds4

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

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 734582) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID734582
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCOCc1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C8H13N3O2S/c1-5(2)7(12)9-8-11-10-6(14-8)4-13-3/h5H,4H2,1-3H3,(H,9,11,12)
InChIKeySVSLAKYMHSLFNF-UHFFFAOYSA-N
XLogP1.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-chloro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 92660576
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 2932790
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1382193
(2S)-2-(2,4-dichlorophenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1080658
N-[5-(4-aminobutyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82176715
N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 879284
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
(2S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 52900061
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 84561012
2-(cyanomethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82179674
2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84561305

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 734582) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is COCc1nnc(NC(=O)C(C)C)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is SVSLAKYMHSLFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)7(12)9-8-11-10-6(14-8)4-13-3/h5H,4H2,1-3H3,(H,9,11,12).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 215.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 734582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).