N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide

C13H17N5O2S2 — CID 46645201

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
SMILESC=CCNc1nnc(SC(CC)C(=O)Nc2cc(C)on2)s1
InChIInChI=1S/C13H17N5O2S2/c1-4-6-14-12-16-17-13(22-12)21-9(5-2)11(19)15-10-7-8(3)20-18-10/h4,7,9H,1,5-6H2,2-3H3,(H,14,16)(H,15,18,19)
InChIKeyQJHSMLIVUWSXGF-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.94
Rot. Bonds8

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide (PubChem CID 46645201) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
PubChem CID46645201
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
SMILESC=CCNc1nnc(SC(CC)C(=O)Nc2cc(C)on2)s1
InChIInChI=1S/C13H17N5O2S2/c1-4-6-14-12-16-17-13(22-12)21-9(5-2)11(19)15-10-7-8(3)20-18-10/h4,7,9H,1,5-6H2,2-3H3,(H,14,16)(H,15,18,19)
InChIKeyQJHSMLIVUWSXGF-UHFFFAOYSA-N
XLogP2.94
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide
CID 17392705
N-(3-methyl-1,2-oxazol-5-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51321751
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24629114
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 784165
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 25043706
(2S)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797762
(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40789721
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797841
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
(2R)-1-(4-methylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 7797648
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide
CID 41090238

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide (CID 46645201) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide is C=CCNc1nnc(SC(CC)C(=O)Nc2cc(C)on2)s1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide?
The InChIKey is QJHSMLIVUWSXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-4-6-14-12-16-17-13(22-12)21-9(5-2)11(19)15-10-7-8(3)20-18-10/h4,7,9H,1,5-6H2,2-3H3,(H,14,16)(H,15,18,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide has a molecular weight of 339.45 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide is sourced from PubChem (CID 46645201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).