1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile

C20H26N4O2S — CID 155870303

IUPAC1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1nc(CN2CC3(CCN(C(=O)C4(C#N)CCCC4)CC3)CC2=O)cs1
InChIInChI=1S/C20H26N4O2S/c1-15-22-16(12-27-15)11-24-14-19(10-17(24)25)6-8-23(9-7-19)18(26)20(13-21)4-2-3-5-20/h12H,2-11,14H2,1H3
InChIKeyXWWQSNPFPMARGY-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.88
Rot. Bonds3

About 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile

1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 155870303) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
PubChem CID155870303
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1nc(CN2CC3(CCN(C(=O)C4(C#N)CCCC4)CC3)CC2=O)cs1
InChIInChI=1S/C20H26N4O2S/c1-15-22-16(12-27-15)11-24-14-19(10-17(24)25)6-8-23(9-7-19)18(26)20(13-21)4-2-3-5-20/h12H,2-11,14H2,1H3
InChIKeyXWWQSNPFPMARGY-UHFFFAOYSA-N
XLogP2.88
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648352
2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155847202
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155874190
7-ethylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131657994
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471461
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118743886
7-methylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155855511
(5S)-7-(furan-3-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374162
8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97194827
9-(3-methylsulfonylpropanoyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131690904
7-(6-methoxypyrimidin-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118740768
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70776926

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile (CID 155870303) is 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile is Cc1nc(CN2CC3(CCN(C(=O)C4(C#N)CCCC4)CC3)CC2=O)cs1.
What is the InChIKey of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is XWWQSNPFPMARGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-15-22-16(12-27-15)11-24-14-19(10-17(24)25)6-8-23(9-7-19)18(26)20(13-21)4-2-3-5-20/h12H,2-11,14H2,1H3.
What are the key properties of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 386.52 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 155870303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).