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

C10H17N3O2S — CID 2932790

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1nnc(COC)s1
InChIInChI=1S/C10H17N3O2S/c1-4-5-7(2)9(14)11-10-13-12-8(16-10)6-15-3/h7H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyNYRNRVKGRWIAJV-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.06
Rot. Bonds6

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

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide (PubChem CID 2932790) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
PubChem CID2932790
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1nnc(COC)s1
InChIInChI=1S/C10H17N3O2S/c1-4-5-7(2)9(14)11-10-13-12-8(16-10)6-15-3/h7H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyNYRNRVKGRWIAJV-UHFFFAOYSA-N
XLogP2.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582
(2R)-2-chloro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 92660576
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 4026988
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 2932354
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 769207
2-methyl-N-[5-[2-[2-[5-(2-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 74982466
(2S)-2-(2,4-dichlorophenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1080658

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide (CID 2932790) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide is CCCC(C)C(=O)Nc1nnc(COC)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide?
The InChIKey is NYRNRVKGRWIAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-5-7(2)9(14)11-10-13-12-8(16-10)6-15-3/h7H,4-6H2,1-3H3,(H,11,13,14).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide has a molecular weight of 243.33 g/mol, XLogP of 2.06, 6 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-methylpentanamide is sourced from PubChem (CID 2932790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).