N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide

C13H14N2O2S2 — CID 2999993

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)C3CCCO3)cc2s1
InChIInChI=1S/C13H14N2O2S2/c1-18-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-17-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,16)
InChIKeyYKZWLXILOSBAQA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.14
Rot. Bonds3

About N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide (PubChem CID 2999993) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
PubChem CID2999993
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)C3CCCO3)cc2s1
InChIInChI=1S/C13H14N2O2S2/c1-18-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-17-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,16)
InChIKeyYKZWLXILOSBAQA-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide (CID 2999993) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide is CSc1nc2ccc(NC(=O)C3CCCO3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide?
The InChIKey is YKZWLXILOSBAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-18-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-17-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,16).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2999993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).