2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide

C19H23FN2O2S — CID 99709763

IUPAC2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide
SMILESCCOc1c(F)cccc1C(=O)N(C)[C@H]1CCCc2nc(CC)sc21
InChIInChI=1S/C19H23FN2O2S/c1-4-16-21-14-10-7-11-15(18(14)25-16)22(3)19(23)12-8-6-9-13(20)17(12)24-5-2/h6,8-9,15H,4-5,7,10-11H2,1-3H3/t15-/m0/s1
InChIKeyCHHDDYYCGGPCCE-HNNXBMFYSA-N
MW362.47 g/mol
LogP4.39
Rot. Bonds5

About 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide

2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide (PubChem CID 99709763) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide
PubChem CID99709763
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide
SMILESCCOc1c(F)cccc1C(=O)N(C)[C@H]1CCCc2nc(CC)sc21
InChIInChI=1S/C19H23FN2O2S/c1-4-16-21-14-10-7-11-15(18(14)25-16)22(3)19(23)12-8-6-9-13(20)17(12)24-5-2/h6,8-9,15H,4-5,7,10-11H2,1-3H3/t15-/m0/s1
InChIKeyCHHDDYYCGGPCCE-HNNXBMFYSA-N
XLogP4.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide (CID 99709763) is 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide is CCOc1c(F)cccc1C(=O)N(C)[C@H]1CCCc2nc(CC)sc21.
What is the InChIKey of 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide?
The InChIKey is CHHDDYYCGGPCCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-4-16-21-14-10-7-11-15(18(14)25-16)22(3)19(23)12-8-6-9-13(20)17(12)24-5-2/h6,8-9,15H,4-5,7,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide?
2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide has a molecular weight of 362.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 99709763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).