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

C17H25N5O4S — CID 155496544

IUPAC1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one
SMILESCOCc1nnc(N2CC(C(=O)N3CCOC4(CCNCC4)C3)CC2=O)s1
InChIInChI=1S/C17H25N5O4S/c1-25-10-13-19-20-16(27-13)22-9-12(8-14(22)23)15(24)21-6-7-26-17(11-21)2-4-18-5-3-17/h12,18H,2-11H2,1H3
InChIKeyZGJZDPBEYCVPAE-UHFFFAOYSA-N
MW395.49 g/mol
LogP0.02
Rot. Bonds4

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

1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one (PubChem CID 155496544) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one
PubChem CID155496544
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one
SMILESCOCc1nnc(N2CC(C(=O)N3CCOC4(CCNCC4)C3)CC2=O)s1
InChIInChI=1S/C17H25N5O4S/c1-25-10-13-19-20-16(27-13)22-9-12(8-14(22)23)15(24)21-6-7-26-17(11-21)2-4-18-5-3-17/h12,18H,2-11H2,1H3
InChIKeyZGJZDPBEYCVPAE-UHFFFAOYSA-N
XLogP0.02
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one (CID 155496544) is 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one is COCc1nnc(N2CC(C(=O)N3CCOC4(CCNCC4)C3)CC2=O)s1.
What is the InChIKey of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one?
The InChIKey is ZGJZDPBEYCVPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-25-10-13-19-20-16(27-13)22-9-12(8-14(22)23)15(24)21-6-7-26-17(11-21)2-4-18-5-3-17/h12,18H,2-11H2,1H3.
What are the key properties of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one?
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one has a molecular weight of 395.49 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 155496544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).