4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

C18H27N5O3S — CID 155491633

IUPAC4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
SMILESCCCc1nnc(N2CC(C(=O)N3CCC4(CC3)CNCCO4)CC2=O)s1
InChIInChI=1S/C18H27N5O3S/c1-2-3-14-20-21-17(27-14)23-11-13(10-15(23)24)16(25)22-7-4-18(5-8-22)12-19-6-9-26-18/h13,19H,2-12H2,1H3
InChIKeyPKDOTPSGJWMNCB-UHFFFAOYSA-N
MW393.51 g/mol
LogP0.82
Rot. Bonds4

About 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one (PubChem CID 155491633) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
PubChem CID155491633
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC Name4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
SMILESCCCc1nnc(N2CC(C(=O)N3CCC4(CC3)CNCCO4)CC2=O)s1
InChIInChI=1S/C18H27N5O3S/c1-2-3-14-20-21-17(27-14)23-11-13(10-15(23)24)16(25)22-7-4-18(5-8-22)12-19-6-9-26-18/h13,19H,2-12H2,1H3
InChIKeyPKDOTPSGJWMNCB-UHFFFAOYSA-N
XLogP0.82
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one (CID 155491633) is 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one is CCCc1nnc(N2CC(C(=O)N3CCC4(CC3)CNCCO4)CC2=O)s1.
What is the InChIKey of 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The InChIKey is PKDOTPSGJWMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-2-3-14-20-21-17(27-14)23-11-13(10-15(23)24)16(25)22-7-4-18(5-8-22)12-19-6-9-26-18/h13,19H,2-12H2,1H3.
What are the key properties of 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one has a molecular weight of 393.51 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 155491633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).