4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide

C8H13N3OS — CID 44791054

IUPAC4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(C)CCC(=O)Nc1nncs1
InChIInChI=1S/C8H13N3OS/c1-6(2)3-4-7(12)10-8-11-9-5-13-8/h5-6H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyHLMZRCZKNIXUMW-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.91
Rot. Bonds4

About 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide

4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 44791054) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID44791054
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(C)CCC(=O)Nc1nncs1
InChIInChI=1S/C8H13N3OS/c1-6(2)3-4-7(12)10-8-11-9-5-13-8/h5-6H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyHLMZRCZKNIXUMW-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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Related Compounds

2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
CID 3580525
(2S)-2-ethyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 750504
(3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
CID 6924971
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 138577108
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
N-[6-(3-methylbutyl)-6-azaspiro[2.5]octan-2-yl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide
CID 170502518
(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 13145508
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47123067
2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 79196071
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide
CID 131916522

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide (CID 44791054) is 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide is CC(C)CCC(=O)Nc1nncs1.
What is the InChIKey of 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is HLMZRCZKNIXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6(2)3-4-7(12)10-8-11-9-5-13-8/h5-6H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
4-methyl-N-(1,3,4-thiadiazol-2-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 4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 44791054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).