N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C10H12N4O2S2 — CID 176585430

IUPACN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCSc1nnc(NC(=O)c2cc(C(C)C)no2)s1
InChIInChI=1S/C10H12N4O2S2/c1-5(2)6-4-7(16-14-6)8(15)11-9-12-13-10(17-3)18-9/h4-5H,1-3H3,(H,11,12,15)
InChIKeyPMCUFZONWUDPFO-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.62
Rot. Bonds4

About N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 176585430) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID176585430
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCSc1nnc(NC(=O)c2cc(C(C)C)no2)s1
InChIInChI=1S/C10H12N4O2S2/c1-5(2)6-4-7(16-14-6)8(15)11-9-12-13-10(17-3)18-9/h4-5H,1-3H3,(H,11,12,15)
InChIKeyPMCUFZONWUDPFO-UHFFFAOYSA-N
XLogP2.62
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-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

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 176585441
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
CID 171781557
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 51140531
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4639958
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 7092391
4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 121029454
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 46965435
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxamide
CID 171781527
3-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1,2-oxazole-5-carboxamide
CID 16879825
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 17421080

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 176585430) is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CSc1nnc(NC(=O)c2cc(C(C)C)no2)s1.
What is the InChIKey of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is PMCUFZONWUDPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-5(2)6-4-7(16-14-6)8(15)11-9-12-13-10(17-3)18-9/h4-5H,1-3H3,(H,11,12,15).
What are the key properties of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 284.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 176585430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).