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

C20H21F2N7O4S — CID 58564322

IUPAC2-[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
SMILESCC(F)(F)Oc1cccc2c1CCC1(CCN(c3nnc(-c4nnn(CC(=O)O)n4)s3)CC1)O2
InChIInChI=1S/C20H21F2N7O4S/c1-19(21,22)32-13-3-2-4-14-12(13)5-6-20(33-14)7-9-28(10-8-20)18-25-24-17(34-18)16-23-27-29(26-16)11-15(30)31/h2-4H,5-11H2,1H3,(H,30,31)
InChIKeyOHVQLMAYFDFLDJ-UHFFFAOYSA-N
MW493.50 g/mol
LogP2.63
Rot. Bonds6

About 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

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 (PubChem CID 58564322) has the molecular formula C20H21F2N7O4S and a molecular weight of 493.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID58564322
Molecular FormulaC20H21F2N7O4S
Molecular Weight493.50 g/mol
Exact Mass493.13
IUPAC Name2-[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
SMILESCC(F)(F)Oc1cccc2c1CCC1(CCN(c3nnc(-c4nnn(CC(=O)O)n4)s3)CC1)O2
InChIInChI=1S/C20H21F2N7O4S/c1-19(21,22)32-13-3-2-4-14-12(13)5-6-20(33-14)7-9-28(10-8-20)18-25-24-17(34-18)16-23-27-29(26-16)11-15(30)31/h2-4H,5-11H2,1H3,(H,30,31)
InChIKeyOHVQLMAYFDFLDJ-UHFFFAOYSA-N
XLogP2.63
TPSA128.38 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol
CID 91099178
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
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
5-(5-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3,4-thiadiazole-2-carbonitrile
CID 68796115
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-[5-[2-[4-[2-(trifluoromethoxy)benzoyl]piperidin-1-yl]pyrimidin-5-yl]tetrazol-2-yl]acetic acid
CID 58539929
5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
CID 171926122
2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51284749

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)(F)Oc1cccc2c1CCC1(CCN(c3nnc(-c4nnn(CC(=O)O)n4)s3)CC1)O2.
What is the InChIKey of 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?
The InChIKey is OHVQLMAYFDFLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O4S/c1-19(21,22)32-13-3-2-4-14-12(13)5-6-20(33-14)7-9-28(10-8-20)18-25-24-17(34-18)16-23-27-29(26-16)11-15(30)31/h2-4H,5-11H2,1H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 493.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58564322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).