5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide

C16H17N3O2S2 — CID 16954020

About 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide

5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide (PubChem CID 16954020) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
• PubChem CID: 16954020
• Molecular Formula: C16H17N3O2S2
• Molecular Weight: 347.47 g/mol
• Exact Mass: 347.08
• IUPAC Name: 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
• SMILES: CCCn1/c(=N/C(=O)c2cc(C)on2)sc2cc(SC)ccc21
• InChI: InChI=1S/C16H17N3O2S2/c1-4-7-19-13-6-5-11(22-3)9-14(13)23-16(19)17-15(20)12-8-10(2)21-18-12/h5-6,8-9H,4,7H2,1-3H3/b17-16-
• InChIKey: RPFAZWYPXWOOQJ-MSUUIHNZSA-N
• XLogP: 3.87
• TPSA: 60.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.47
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide (CID 16954020) is 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide is CCCn1/c(=N/C(=O)c2cc(C)on2)sc2cc(SC)ccc21.

What is the InChIKey of 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?

The InChIKey is RPFAZWYPXWOOQJ-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-4-7-19-13-6-5-11(22-3)9-14(13)23-16(19)17-15(20)12-8-10(2)21-18-12/h5-6,8-9H,4,7H2,1-3H3/b17-16-.

What are the key properties of 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?

5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16954020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).