(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one

C24H28FN3OS — CID 67405807

IUPAC(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESC[C@H]1C[C@@]2(C=CC(=O)N2c2cccc(F)c2)CCN1Cc1scnc1CC1CCC1
InChIInChI=1S/C24H28FN3OS/c1-17-14-24(9-8-23(29)28(24)20-7-3-6-19(25)13-20)10-11-27(17)15-22-21(26-16-30-22)12-18-4-2-5-18/h3,6-9,13,16-18H,2,4-5,10-12,14-15H2,1H3/t17-,24+/m0/s1
InChIKeyUGCQGHIVBJZCQO-BXKMTCNYSA-N
MW425.57 g/mol
LogP4.95
Rot. Bonds5

About (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one

(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 67405807) has the molecular formula C24H28FN3OS and a molecular weight of 425.57 g/mol. Its IUPAC name is (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID67405807
Molecular FormulaC24H28FN3OS
Molecular Weight425.57 g/mol
Exact Mass425.19
IUPAC Name(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESC[C@H]1C[C@@]2(C=CC(=O)N2c2cccc(F)c2)CCN1Cc1scnc1CC1CCC1
InChIInChI=1S/C24H28FN3OS/c1-17-14-24(9-8-23(29)28(24)20-7-3-6-19(25)13-20)10-11-27(17)15-22-21(26-16-30-22)12-18-4-2-5-18/h3,6-9,13,16-18H,2,4-5,10-12,14-15H2,1H3/t17-,24+/m0/s1
InChIKeyUGCQGHIVBJZCQO-BXKMTCNYSA-N
XLogP4.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 67405807) is (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one is C[C@H]1C[C@@]2(C=CC(=O)N2c2cccc(F)c2)CCN1Cc1scnc1CC1CCC1.
What is the InChIKey of (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is UGCQGHIVBJZCQO-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H28FN3OS/c1-17-14-24(9-8-23(29)28(24)20-7-3-6-19(25)13-20)10-11-27(17)15-22-21(26-16-30-22)12-18-4-2-5-18/h3,6-9,13,16-18H,2,4-5,10-12,14-15H2,1H3/t17-,24+/m0/s1.
What are the key properties of (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 425.57 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 67405807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).