(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C16H24N4O3S — CID 97137582

IUPAC(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCNc1nc(C)c(C(=O)N2CCC3(CC2)CN[C@@H](C(=O)O)C3)s1
InChIInChI=1S/C16H24N4O3S/c1-3-17-15-19-10(2)12(24-15)13(21)20-6-4-16(5-7-20)8-11(14(22)23)18-9-16/h11,18H,3-9H2,1-2H3,(H,17,19)(H,22,23)/t11-/m1/s1
InChIKeyJHTHRAZESCEVHR-LLVKDONJSA-N
MW352.46 g/mol
LogP1.55
Rot. Bonds4

About (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97137582) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97137582
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCNc1nc(C)c(C(=O)N2CCC3(CC2)CN[C@@H](C(=O)O)C3)s1
InChIInChI=1S/C16H24N4O3S/c1-3-17-15-19-10(2)12(24-15)13(21)20-6-4-16(5-7-20)8-11(14(22)23)18-9-16/h11,18H,3-9H2,1-2H3,(H,17,19)(H,22,23)/t11-/m1/s1
InChIKeyJHTHRAZESCEVHR-LLVKDONJSA-N
XLogP1.55
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72875320
(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97122563
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 118761146
[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 110085274
(3S)-8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97135110
1-[(1S,4R,8S,9R)-11-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-9-methyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]ethanone
CID 110142041
[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 133113462
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 166270136
[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 72847909
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670409

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97137582) is (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCNc1nc(C)c(C(=O)N2CCC3(CC2)CN[C@@H](C(=O)O)C3)s1.
What is the InChIKey of (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is JHTHRAZESCEVHR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-3-17-15-19-10(2)12(24-15)13(21)20-6-4-16(5-7-20)8-11(14(22)23)18-9-16/h11,18H,3-9H2,1-2H3,(H,17,19)(H,22,23)/t11-/m1/s1.
What are the key properties of (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 352.46 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97137582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).