4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide

C8H15N5OS — CID 114912385

IUPAC4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide
SMILESCC(C)NCCCC(=O)Nc1nnns1
InChIInChI=1S/C8H15N5OS/c1-6(2)9-5-3-4-7(14)10-8-11-12-13-15-8/h6,9H,3-5H2,1-2H3,(H,10,11,13,14)
InChIKeyYVQCKVDTBGERBN-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.65
Rot. Bonds6

About 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide

4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide (PubChem CID 114912385) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide
PubChem CID114912385
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC Name4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide
SMILESCC(C)NCCCC(=O)Nc1nnns1
InChIInChI=1S/C8H15N5OS/c1-6(2)9-5-3-4-7(14)10-8-11-12-13-15-8/h6,9H,3-5H2,1-2H3,(H,10,11,13,14)
InChIKeyYVQCKVDTBGERBN-UHFFFAOYSA-N
XLogP0.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 54958630
3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide
CID 114912484
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 116813202
N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide
CID 114253600
N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 113392289
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850282
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide (CID 114912385) is 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide is CC(C)NCCCC(=O)Nc1nnns1.
What is the InChIKey of 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide?
The InChIKey is YVQCKVDTBGERBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-6(2)9-5-3-4-7(14)10-8-11-12-13-15-8/h6,9H,3-5H2,1-2H3,(H,10,11,13,14).
What are the key properties of 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide?
4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide has a molecular weight of 229.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide is sourced from PubChem (CID 114912385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).