(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide

C19H26N2O3S — CID 125445382

IUPAC(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)C2(CCCCC2)O1
InChIInChI=1S/C19H26N2O3S/c22-17-12-13(19(24-17)9-4-1-5-10-19)18(23)20-11-8-16-21-14-6-2-3-7-15(14)25-16/h13H,1-12H2,(H,20,23)/t13-/m0/s1
InChIKeyHDSOTHREVBXAAS-ZDUSSCGKSA-N
MW362.50 g/mol
LogP2.95
Rot. Bonds4

About (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide

(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 125445382) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID125445382
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)C2(CCCCC2)O1
InChIInChI=1S/C19H26N2O3S/c22-17-12-13(19(24-17)9-4-1-5-10-19)18(23)20-11-8-16-21-14-6-2-3-7-15(14)25-16/h13H,1-12H2,(H,20,23)/t13-/m0/s1
InChIKeyHDSOTHREVBXAAS-ZDUSSCGKSA-N
XLogP2.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125166297
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
(3R)-1-ethyl-5-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 95309842
cis-(1R,3S)-3-amino-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 133118561
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 97211675
1-amino-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopentane-1-carboxamide
CID 119316792
9-amino-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988447
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131927808
(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide
CID 124702973

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide (CID 125445382) is (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide is O=C1C[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)C2(CCCCC2)O1.
What is the InChIKey of (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is HDSOTHREVBXAAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-17-12-13(19(24-17)9-4-1-5-10-19)18(23)20-11-8-16-21-14-6-2-3-7-15(14)25-16/h13H,1-12H2,(H,20,23)/t13-/m0/s1.
What are the key properties of (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide?
(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 125445382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).