3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one

C14H19N3OS — CID 118740641

IUPAC3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESO=C1N(CC2CC2)C(c2cncs2)NC12CCCC2
InChIInChI=1S/C14H19N3OS/c18-13-14(5-1-2-6-14)16-12(11-7-15-9-19-11)17(13)8-10-3-4-10/h7,9-10,12,16H,1-6,8H2
InChIKeyOACQMKDWZXULCZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.30
Rot. Bonds3

About 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one

3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 118740641) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID118740641
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESO=C1N(CC2CC2)C(c2cncs2)NC12CCCC2
InChIInChI=1S/C14H19N3OS/c18-13-14(5-1-2-6-14)16-12(11-7-15-9-19-11)17(13)8-10-3-4-10/h7,9-10,12,16H,1-6,8H2
InChIKeyOACQMKDWZXULCZ-UHFFFAOYSA-N
XLogP2.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-Methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 53523190
3-[2-(2-Methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75447188
(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 97242103
2-(2-Tert-butyl-1,3-thiazol-5-yl)-3-ethyl-1,3-diazaspiro[4.5]decan-4-one
CID 72138668
4-Methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 20589975
5-Methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 20590069
6-Methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 20590159
8-Methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47073030
3-[(2-Methyl-1,3-thiazol-5-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione
CID 53530898
1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 54872550
5-(3-Methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
CID 56721219
1-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 61280453

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 118740641) is 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one is O=C1N(CC2CC2)C(c2cncs2)NC12CCCC2.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is OACQMKDWZXULCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-13-14(5-1-2-6-14)16-12(11-7-15-9-19-11)17(13)8-10-3-4-10/h7,9-10,12,16H,1-6,8H2.
What are the key properties of 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 277.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 118740641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).