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

C9H15N3O2S — CID 769203

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILESCOCc1nnc(NC(=O)CC(C)C)s1
InChIInChI=1S/C9H15N3O2S/c1-6(2)4-7(13)10-9-12-11-8(15-9)5-14-3/h6H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyOUHQKHQYGKAVHU-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.67
Rot. Bonds5

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

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide (PubChem CID 769203) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
PubChem CID769203
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILESCOCc1nnc(NC(=O)CC(C)C)s1
InChIInChI=1S/C9H15N3O2S/c1-6(2)4-7(13)10-9-12-11-8(15-9)5-14-3/h6H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyOUHQKHQYGKAVHU-UHFFFAOYSA-N
XLogP1.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide (CID 769203) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide is COCc1nnc(NC(=O)CC(C)C)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The InChIKey is OUHQKHQYGKAVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)4-7(13)10-9-12-11-8(15-9)5-14-3/h6H,4-5H2,1-3H3,(H,10,12,13).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide has a molecular weight of 229.30 g/mol, XLogP of 1.67, 5 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]-3-methylbutanamide is sourced from PubChem (CID 769203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).