1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one

C16H23N5O4S — CID 155491392

IUPAC1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one
SMILESCOCc1nnc(N2CC(C(=O)N3CCOC4(CCNC4)C3)CC2=O)s1
InChIInChI=1S/C16H23N5O4S/c1-24-8-12-18-19-15(26-12)21-7-11(6-13(21)22)14(23)20-4-5-25-16(10-20)2-3-17-9-16/h11,17H,2-10H2,1H3
InChIKeyNEDBWKREFPJTLM-UHFFFAOYSA-N
MW381.46 g/mol
LogP-0.37
Rot. Bonds4

About 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one

1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one (PubChem CID 155491392) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one
PubChem CID155491392
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one
SMILESCOCc1nnc(N2CC(C(=O)N3CCOC4(CCNC4)C3)CC2=O)s1
InChIInChI=1S/C16H23N5O4S/c1-24-8-12-18-19-15(26-12)21-7-11(6-13(21)22)14(23)20-4-5-25-16(10-20)2-3-17-9-16/h11,17H,2-10H2,1H3
InChIKeyNEDBWKREFPJTLM-UHFFFAOYSA-N
XLogP-0.37
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 5-0.37
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-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one (CID 155491392) is 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one is COCc1nnc(N2CC(C(=O)N3CCOC4(CCNC4)C3)CC2=O)s1.
What is the InChIKey of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one?
The InChIKey is NEDBWKREFPJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-24-8-12-18-19-15(26-12)21-7-11(6-13(21)22)14(23)20-4-5-25-16(10-20)2-3-17-9-16/h11,17H,2-10H2,1H3.
What are the key properties of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one?
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one has a molecular weight of 381.46 g/mol, XLogP of -0.37, 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-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 155491392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).