2-methyl-N-(thiadiazol-4-yl)pentanamide

C8H13N3OS — CID 130890915

IUPAC2-methyl-N-(thiadiazol-4-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1csnn1
InChIInChI=1S/C8H13N3OS/c1-3-4-6(2)8(12)9-7-5-13-11-10-7/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyGJACMCAJAIYKFJ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.91
Rot. Bonds4

About 2-methyl-N-(thiadiazol-4-yl)pentanamide

2-methyl-N-(thiadiazol-4-yl)pentanamide (PubChem CID 130890915) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methyl-N-(thiadiazol-4-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(thiadiazol-4-yl)pentanamide
PubChem CID130890915
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-methyl-N-(thiadiazol-4-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1csnn1
InChIInChI=1S/C8H13N3OS/c1-3-4-6(2)8(12)9-7-5-13-11-10-7/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyGJACMCAJAIYKFJ-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiadiazol-4-yl)pentanamide?
The IUPAC name of 2-methyl-N-(thiadiazol-4-yl)pentanamide (CID 130890915) is 2-methyl-N-(thiadiazol-4-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(thiadiazol-4-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(thiadiazol-4-yl)pentanamide is CCCC(C)C(=O)Nc1csnn1.
What is the InChIKey of 2-methyl-N-(thiadiazol-4-yl)pentanamide?
The InChIKey is GJACMCAJAIYKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-4-6(2)8(12)9-7-5-13-11-10-7/h5-6H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 2-methyl-N-(thiadiazol-4-yl)pentanamide?
2-methyl-N-(thiadiazol-4-yl)pentanamide has a molecular weight of 199.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiadiazol-4-yl)pentanamide is sourced from PubChem (CID 130890915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).