2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C17H17N3O2S2 — CID 36864512

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)/N=c1/sccn1C
InChIInChI=1S/C17H17N3O2S2/c1-11-14(12(2)22-19-11)10-24-15-7-5-4-6-13(15)16(21)18-17-20(3)8-9-23-17/h4-9H,10H2,1-3H3/b18-17+
InChIKeyRNTPDBBLDPWRPP-ISLYRVAYSA-N
MW359.48 g/mol
LogP3.72
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 36864512) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID36864512
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)/N=c1/sccn1C
InChIInChI=1S/C17H17N3O2S2/c1-11-14(12(2)22-19-11)10-24-15-7-5-4-6-13(15)16(21)18-17-20(3)8-9-23-17/h4-9H,10H2,1-3H3/b18-17+
InChIKeyRNTPDBBLDPWRPP-ISLYRVAYSA-N
XLogP3.72
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 36864512) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cc1noc(C)c1CSc1ccccc1C(=O)/N=c1/sccn1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is RNTPDBBLDPWRPP-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11-14(12(2)22-19-11)10-24-15-7-5-4-6-13(15)16(21)18-17-20(3)8-9-23-17/h4-9H,10H2,1-3H3/b18-17+.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 359.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 36864512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).