6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide

C17H24N2O2S — CID 166206052

IUPAC6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCC1=C(C(=O)NCC2CCCc3sc(C)nc32)CCCO1
InChIInChI=1S/C17H24N2O2S/c1-3-14-13(7-5-9-21-14)17(20)18-10-12-6-4-8-15-16(12)19-11(2)22-15/h12H,3-10H2,1-2H3,(H,18,20)
InChIKeyBMRXOGFNTSPRBY-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.46
Rot. Bonds4

About 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide

6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 166206052) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID166206052
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCC1=C(C(=O)NCC2CCCc3sc(C)nc32)CCCO1
InChIInChI=1S/C17H24N2O2S/c1-3-14-13(7-5-9-21-14)17(20)18-10-12-6-4-8-15-16(12)19-11(2)22-15/h12H,3-10H2,1-2H3,(H,18,20)
InChIKeyBMRXOGFNTSPRBY-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 166206052) is 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide is CCC1=C(C(=O)NCC2CCCc3sc(C)nc32)CCCO1.
What is the InChIKey of 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is BMRXOGFNTSPRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-14-13(7-5-9-21-14)17(20)18-10-12-6-4-8-15-16(12)19-11(2)22-15/h12H,3-10H2,1-2H3,(H,18,20).
What are the key properties of 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 166206052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).