2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one

C16H23N3O2S — CID 131688309

IUPAC2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one
SMILESCc1nc(C(=O)N2CCCC3(CCN3C(=O)C(C)C)C2)cs1
InChIInChI=1S/C16H23N3O2S/c1-11(2)14(20)19-8-6-16(19)5-4-7-18(10-16)15(21)13-9-22-12(3)17-13/h9,11H,4-8,10H2,1-3H3
InChIKeyQEPMTJXWBVARKC-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one

2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one (PubChem CID 131688309) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one
PubChem CID131688309
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one
SMILESCc1nc(C(=O)N2CCCC3(CCN3C(=O)C(C)C)C2)cs1
InChIInChI=1S/C16H23N3O2S/c1-11(2)14(20)19-8-6-16(19)5-4-7-18(10-16)15(21)13-9-22-12(3)17-13/h9,11H,4-8,10H2,1-3H3
InChIKeyQEPMTJXWBVARKC-UHFFFAOYSA-N
XLogP2.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
2-methyl-1-[(5R)-7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
CID 97473084
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131681877
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396
(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 67291637
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 62897938
N-[4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 115874539
[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one (CID 131688309) is 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one is Cc1nc(C(=O)N2CCCC3(CCN3C(=O)C(C)C)C2)cs1.
What is the InChIKey of 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one?
The InChIKey is QEPMTJXWBVARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(2)14(20)19-8-6-16(19)5-4-7-18(10-16)15(21)13-9-22-12(3)17-13/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one?
2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one has a molecular weight of 321.45 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one is sourced from PubChem (CID 131688309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).