N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide

C10H17N3O2S — CID 3101011

IUPACN-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(CCOC)s1
InChIInChI=1S/C10H17N3O2S/c1-3-4-5-8(14)11-10-13-12-9(16-10)6-7-15-2/h3-7H2,1-2H3,(H,11,13,14)
InChIKeyVQHRMVNZAMOFGR-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.86
Rot. Bonds7

About N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide

N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 3101011) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID3101011
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(CCOC)s1
InChIInChI=1S/C10H17N3O2S/c1-3-4-5-8(14)11-10-13-12-9(16-10)6-7-15-2/h3-7H2,1-2H3,(H,11,13,14)
InChIKeyVQHRMVNZAMOFGR-UHFFFAOYSA-N
XLogP1.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 3101011) is N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)Nc1nnc(CCOC)s1.
What is the InChIKey of N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is VQHRMVNZAMOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-4-5-8(14)11-10-13-12-9(16-10)6-7-15-2/h3-7H2,1-2H3,(H,11,13,14).
What are the key properties of N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 243.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 3101011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).