N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

C12H16N4O2S2 — CID 118770027

IUPACN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)NCc2noc(CC(C)C)n2)cs1
InChIInChI=1S/C12H16N4O2S2/c1-7(2)4-10-15-9(16-18-10)5-13-11(17)8-6-20-12(14-8)19-3/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyNBHODGPABKHQKS-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.38
Rot. Bonds6

About N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 118770027) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
PubChem CID118770027
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)NCc2noc(CC(C)C)n2)cs1
InChIInChI=1S/C12H16N4O2S2/c1-7(2)4-10-15-9(16-18-10)5-13-11(17)8-6-20-12(14-8)19-3/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyNBHODGPABKHQKS-UHFFFAOYSA-N
XLogP2.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide 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

3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
CID 118775391
2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide
CID 118768053
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
2-methylsulfanyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 118787881
3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755069
N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 89470086
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72895081
2-methylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 118770644
N-[2-(methylamino)propyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120829137
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanol
CID 43502586
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 99949923

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide (CID 118770027) is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)NCc2noc(CC(C)C)n2)cs1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is NBHODGPABKHQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-7(2)4-10-15-9(16-18-10)5-13-11(17)8-6-20-12(14-8)19-3/h6-7H,4-5H2,1-3H3,(H,13,17).
What are the key properties of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118770027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).