N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide

C23H23FN4O2S — CID 10433258

IUPACN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C23H23FN4O2S/c1-27(23(29)22-18-4-2-3-5-20(18)31-26-22)12-13-28-10-8-15(9-11-28)21-17-7-6-16(24)14-19(17)30-25-21/h2-7,14-15H,8-13H2,1H3
InChIKeyHWKDDIYQGMIJRT-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.53
Rot. Bonds5

About N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide

N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 10433258) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID10433258
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC NameN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C23H23FN4O2S/c1-27(23(29)22-18-4-2-3-5-20(18)31-26-22)12-13-28-10-8-15(9-11-28)21-17-7-6-16(24)14-19(17)30-25-21/h2-7,14-15H,8-13H2,1H3
InChIKeyHWKDDIYQGMIJRT-UHFFFAOYSA-N
XLogP4.53
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide (CID 10433258) is N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide is CN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1nsc2ccccc12.
What is the InChIKey of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is HWKDDIYQGMIJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-27(23(29)22-18-4-2-3-5-20(18)31-26-22)12-13-28-10-8-15(9-11-28)21-17-7-6-16(24)14-19(17)30-25-21/h2-7,14-15H,8-13H2,1H3.
What are the key properties of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 10433258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).