2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H32N4OS — CID 70771935

IUPAC2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1nnsc1CN1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C20H32N4OS/c1-15(2)19-17(26-22-21-19)12-23-11-5-9-20(13-23)10-8-18(25)24(14-20)16-6-3-4-7-16/h15-16H,3-14H2,1-2H3
InChIKeyKWNPFQZRHSPAAA-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.81
Rot. Bonds4

About 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70771935) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70771935
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1nnsc1CN1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C20H32N4OS/c1-15(2)19-17(26-22-21-19)12-23-11-5-9-20(13-23)10-8-18(25)24(14-20)16-6-3-4-7-16/h15-16H,3-14H2,1-2H3
InChIKeyKWNPFQZRHSPAAA-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopentylcarbonyl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72914921
(5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97136866
(4aS*,8aR*)-6-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-1-isobutyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56891927
(4aS*,8aR*)-1-butyl-6-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56908254
9-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70709297
2-(3-Methoxypropyl)-8-[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70721168
2-(Cyclopropylmethyl)-8-[(4-isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70735082
2-Cyclopropyl-8-[(4-propyl-1,2,3-thiadiazol-5-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70735763
2-(3-Methylbutyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70754808
8-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755092
3-Butyl-4-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-1-methyl-2-piperazinone
CID 70759881
2-Ethyl-8-[(4-isopropyl-1,2,3-thiadiazol-5-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70772495

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70771935) is 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CC(C)c1nnsc1CN1CCCC2(CCC(=O)N(C3CCCC3)C2)C1.
What is the InChIKey of 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is KWNPFQZRHSPAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-15(2)19-17(26-22-21-19)12-23-11-5-9-20(13-23)10-8-18(25)24(14-20)16-6-3-4-7-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.57 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70771935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).