N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide

C16H13N3O4S2 — CID 121467016

IUPACN-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1sccc1C(=O)N1CCOC1=O)C1Nc2ccccc2S1
InChIInChI=1S/C16H13N3O4S2/c20-12(14-17-10-3-1-2-4-11(10)25-14)18-13-9(5-8-24-13)15(21)19-6-7-23-16(19)22/h1-5,8,14,17H,6-7H2,(H,18,20)
InChIKeyBXDSXMSXXYCYOQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.82
Rot. Bonds3

About N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide

N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide (PubChem CID 121467016) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
PubChem CID121467016
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC NameN-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1sccc1C(=O)N1CCOC1=O)C1Nc2ccccc2S1
InChIInChI=1S/C16H13N3O4S2/c20-12(14-17-10-3-1-2-4-11(10)25-14)18-13-9(5-8-24-13)15(21)19-6-7-23-16(19)22/h1-5,8,14,17H,6-7H2,(H,18,20)
InChIKeyBXDSXMSXXYCYOQ-UHFFFAOYSA-N
XLogP2.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide (CID 121467016) is N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide is O=C(Nc1sccc1C(=O)N1CCOC1=O)C1Nc2ccccc2S1.
What is the InChIKey of N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is BXDSXMSXXYCYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c20-12(14-17-10-3-1-2-4-11(10)25-14)18-13-9(5-8-24-13)15(21)19-6-7-23-16(19)22/h1-5,8,14,17H,6-7H2,(H,18,20).
What are the key properties of N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 121467016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).