(2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C20H21F2N3O2S — CID 42246673

IUPAC(2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)s1
InChIInChI=1S/C20H21F2N3O2S/c1-11-17(28-12(2)23-11)19(27)25-7-5-20(6-8-25)10-14(20)18(26)24-13-3-4-15(21)16(22)9-13/h3-4,9,14H,5-8,10H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyCHLKZKNEKUUAIE-AWEZNQCLSA-N
MW405.47 g/mol
LogP3.92
Rot. Bonds3

About (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42246673) has the molecular formula C20H21F2N3O2S and a molecular weight of 405.47 g/mol. Its IUPAC name is (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42246673
Molecular FormulaC20H21F2N3O2S
Molecular Weight405.47 g/mol
Exact Mass405.13
IUPAC Name(2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)s1
InChIInChI=1S/C20H21F2N3O2S/c1-11-17(28-12(2)23-11)19(27)25-7-5-20(6-8-25)10-14(20)18(26)24-13-3-4-15(21)16(22)9-13/h3-4,9,14H,5-8,10H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyCHLKZKNEKUUAIE-AWEZNQCLSA-N
XLogP3.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoro-4-methoxybenzoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45170481
(2S)-N-(3,4-difluorophenyl)-6-[2-(4-methylsulfanylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42438229
(2S)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-(1-phenylpyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42191799
N-(2-methyl-1,3-benzothiazol-5-yl)-6-(3-methylbut-2-enyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462135
6-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45192877
(2R)-N-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 97278659
(2S)-N-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 97278658
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide
CID 95851771
6-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175443
6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175023
(2S)-6-(cyclohexene-1-carbonyl)-N-(4-methylsulfanylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26342976
6-(1,3-benzodioxol-5-ylmethyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165890

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42246673) is (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)s1.
What is the InChIKey of (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is CHLKZKNEKUUAIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21F2N3O2S/c1-11-17(28-12(2)23-11)19(27)25-7-5-20(6-8-25)10-14(20)18(26)24-13-3-4-15(21)16(22)9-13/h3-4,9,14H,5-8,10H2,1-2H3,(H,24,26)/t14-/m0/s1.
What are the key properties of (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-difluorophenyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42246673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).