N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide

C13H18N2O2S — CID 118794757

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide
SMILESO=C(NCc1nc2c(s1)CCCC2)C1CCOC1
InChIInChI=1S/C13H18N2O2S/c16-13(9-5-6-17-8-9)14-7-12-15-10-3-1-2-4-11(10)18-12/h9H,1-8H2,(H,14,16)
InChIKeyRKRAKRBIVQFUBD-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.67
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 118794757) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide
PubChem CID118794757
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide
SMILESO=C(NCc1nc2c(s1)CCCC2)C1CCOC1
InChIInChI=1S/C13H18N2O2S/c16-13(9-5-6-17-8-9)14-7-12-15-10-3-1-2-4-11(10)18-12/h9H,1-8H2,(H,14,16)
InChIKeyRKRAKRBIVQFUBD-UHFFFAOYSA-N
XLogP1.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide (CID 118794757) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide is O=C(NCc1nc2c(s1)CCCC2)C1CCOC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is RKRAKRBIVQFUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-13(9-5-6-17-8-9)14-7-12-15-10-3-1-2-4-11(10)18-12/h9H,1-8H2,(H,14,16).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 118794757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).