(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C12H18N4O2S — CID 97122563

IUPAC(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1nnc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)s1
InChIInChI=1S/C12H18N4O2S/c1-8-14-15-11(19-8)16-4-2-12(3-5-16)6-9(10(17)18)13-7-12/h9,13H,2-7H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyZQSABOHWKGIDNV-VIFPVBQESA-N
MW282.37 g/mol
LogP0.88
Rot. Bonds2

About (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97122563) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97122563
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1nnc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)s1
InChIInChI=1S/C12H18N4O2S/c1-8-14-15-11(19-8)16-4-2-12(3-5-16)6-9(10(17)18)13-7-12/h9,13H,2-7H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyZQSABOHWKGIDNV-VIFPVBQESA-N
XLogP0.88
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97137582
N,N-dimethyl-2-[[(3R)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97484135
2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
CID 171692453
8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72875320
(3S)-8-pyrrolidin-1-ylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97113028
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983073
2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole;bis(2,2,2-trifluoroacetic acid)
CID 155839957
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108753212
2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
CID 169312225
2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole
CID 65209428

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97122563) is (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1nnc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)s1.
What is the InChIKey of (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ZQSABOHWKGIDNV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8-14-15-11(19-8)16-4-2-12(3-5-16)6-9(10(17)18)13-7-12/h9,13H,2-7H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97122563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).