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

C20H23ClFN7S — CID 58042946

IUPAC2-[6-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-5-[2-(2,2-dimethylpropyl)tetrazol-5-yl]-1,3-thiazole
SMILESCC(C)(C)Cn1nnc(-c2cnc(N3CC4(C3)CN(c3cc(F)ccc3Cl)C4)s2)n1
InChIInChI=1S/C20H23ClFN7S/c1-19(2,3)8-29-25-17(24-26-29)16-7-23-18(30-16)28-11-20(12-28)9-27(10-20)15-6-13(22)4-5-14(15)21/h4-7H,8-12H2,1-3H3
InChIKeyYSGADNKMSZTPJG-UHFFFAOYSA-N
MW447.97 g/mol
LogP3.96
Rot. Bonds4

About 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

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 (PubChem CID 58042946) has the molecular formula C20H23ClFN7S and a molecular weight of 447.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[6-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-5-[2-(2,2-dimethylpropyl)tetrazol-5-yl]-1,3-thiazole
PubChem CID58042946
Molecular FormulaC20H23ClFN7S
Molecular Weight447.97 g/mol
Exact Mass447.14
IUPAC Name2-[6-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-5-[2-(2,2-dimethylpropyl)tetrazol-5-yl]-1,3-thiazole
SMILESCC(C)(C)Cn1nnc(-c2cnc(N3CC4(C3)CN(c3cc(F)ccc3Cl)C4)s2)n1
InChIInChI=1S/C20H23ClFN7S/c1-19(2,3)8-29-25-17(24-26-29)16-7-23-18(30-16)28-11-20(12-28)9-27(10-20)15-6-13(22)4-5-14(15)21/h4-7H,8-12H2,1-3H3
InChIKeyYSGADNKMSZTPJG-UHFFFAOYSA-N
XLogP3.96
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

carbon dioxide;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 161312441
tert-butyl 2-[5-[2-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetate
CID 58539750
2-[5-[2-[4-(5-bromo-2-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
CID 58539905
CID 58042910
CID 58042910
2-[2-(2-chloro-5-fluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2-propyltetrazol-5-yl)-1,3,4-thiadiazole
CID 58042968
2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane
CID 58042937
1-[5-[2-[4-[3-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]propan-2-one
CID 58539943
2-[5-[2-(5-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-1,3-thiazol-5-yl]tetrazol-2-yl]ethanol
CID 91099178
4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
CID 107531477
1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine
CID 107531709
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
5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole
CID 174351178

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)Cn1nnc(-c2cnc(N3CC4(C3)CN(c3cc(F)ccc3Cl)C4)s2)n1.
What is the InChIKey of 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?
The InChIKey is YSGADNKMSZTPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN7S/c1-19(2,3)8-29-25-17(24-26-29)16-7-23-18(30-16)28-11-20(12-28)9-27(10-20)15-6-13(22)4-5-14(15)21/h4-7H,8-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 447.97 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58042946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).