2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N4OS — CID 70773216

IUPAC2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nnc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)s1
InChIInChI=1S/C19H30N4OS/c1-2-5-16-20-21-18(25-16)22-12-10-19(11-13-22)9-8-17(24)23(14-19)15-6-3-4-7-15/h15H,2-14H2,1H3
InChIKeySPJUUXZLSQLPDD-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70773216) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70773216
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nnc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)s1
InChIInChI=1S/C19H30N4OS/c1-2-5-16-20-21-18(25-16)22-12-10-19(11-13-22)9-8-17(24)23(14-19)15-6-3-4-7-15/h15H,2-14H2,1H3
InChIKeySPJUUXZLSQLPDD-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-oxolan-2-yl]methyl]-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97130999
2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765643
2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole
CID 133480844
2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70721194
2-cyclopentyl-9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717194
3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133383459
2-cyclopentyl-9-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733482
9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847475
2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70730295
2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70715700
2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156415
2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716601

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70773216) is 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1nnc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)s1.
What is the InChIKey of 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SPJUUXZLSQLPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-2-5-16-20-21-18(25-16)22-12-10-19(11-13-22)9-8-17(24)23(14-19)15-6-3-4-7-15/h15H,2-14H2,1H3.
What are the key properties of 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.54 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70773216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).