2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol

C21H26N6O3S — CID 91099178

IUPAC2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol
SMILESCCOc1cccc2c1CCC1(CCN(c3ncc(-c4nnn(CCO)n4)s3)CC1)O2
InChIInChI=1S/C21H26N6O3S/c1-2-29-16-4-3-5-17-15(16)6-7-21(30-17)8-10-26(11-9-21)20-22-14-18(31-20)19-23-25-27(24-19)12-13-28/h3-5,14,28H,2,6-13H2,1H3
InChIKeyPIKFNHRIRSDYAT-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.55
Rot. Bonds6

About 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol

2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol (PubChem CID 91099178) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol
PubChem CID91099178
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC Name2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol
SMILESCCOc1cccc2c1CCC1(CCN(c3ncc(-c4nnn(CCO)n4)s3)CC1)O2
InChIInChI=1S/C21H26N6O3S/c1-2-29-16-4-3-5-17-15(16)6-7-21(30-17)8-10-26(11-9-21)20-22-14-18(31-20)19-23-25-27(24-19)12-13-28/h3-5,14,28H,2,6-13H2,1H3
InChIKeyPIKFNHRIRSDYAT-UHFFFAOYSA-N
XLogP2.55
TPSA98.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[5-[2-(5-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
CID 58564333
2-[5-[2-(5-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid;2-[5-[2-(5-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid;2-[5-[2-[5-(1,1-difluoroethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid;2-[5-[2-(5-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid;2-[5-[2-[5-(trifluoromethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
CID 157215908
2-[5-[5-[5-(1,1-difluoroethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1,3,4-thiadiazol-2-yl]tetrazol-2-yl]acetic acid
CID 58564322
2-[5-[2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
CID 46871505
2-[5-[2-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
CID 58539886
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
tert-butyl 2-[5-[2-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetate
CID 58539750
(3-chlorophenyl)-[5-[(2-ethoxyphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]methanone
CID 134795596
ethyl 2-[5-[5-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]-1,3,4-thiadiazol-2-yl]tetrazol-2-yl]acetate
CID 68750584
5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11790021
ethyl 2-[5-[2-[3-methyl-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetate
CID 90761720
2-[6-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-5-[2-(2,2-dimethylpropyl)tetrazol-5-yl]-1,3-thiazole
CID 58042946

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol (CID 91099178) is 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol is CCOc1cccc2c1CCC1(CCN(c3ncc(-c4nnn(CCO)n4)s3)CC1)O2.
What is the InChIKey of 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol?
The InChIKey is PIKFNHRIRSDYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-2-29-16-4-3-5-17-15(16)6-7-21(30-17)8-10-26(11-9-21)20-22-14-18(31-20)19-23-25-27(24-19)12-13-28/h3-5,14,28H,2,6-13H2,1H3.
What are the key properties of 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol?
2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol has a molecular weight of 442.55 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 91099178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).