pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

C17H26N4O2S — CID 97384985

IUPACpyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESO=C(N1CCCC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H26N4O2S/c22-16(20-5-1-2-6-20)21-8-9-23-14-17(13-21)3-7-19(12-17)11-15-18-4-10-24-15/h4,10H,1-3,5-9,11-14H2/t17-/m0/s1
InChIKeyIYZNXDSXDWQHKP-KRWDZBQOSA-N
MW350.49 g/mol
LogP1.88
Rot. Bonds2

About pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (PubChem CID 97384985) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
PubChem CID97384985
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Namepyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESO=C(N1CCCC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H26N4O2S/c22-16(20-5-1-2-6-20)21-8-9-23-14-17(13-21)3-7-19(12-17)11-15-18-4-10-24-15/h4,10H,1-3,5-9,11-14H2/t17-/m0/s1
InChIKeyIYZNXDSXDWQHKP-KRWDZBQOSA-N
XLogP1.88
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (CID 97384985) is pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is O=C(N1CCCC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The InChIKey is IYZNXDSXDWQHKP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O2S/c22-16(20-5-1-2-6-20)21-8-9-23-14-17(13-21)3-7-19(12-17)11-15-18-4-10-24-15/h4,10H,1-3,5-9,11-14H2/t17-/m0/s1.
What are the key properties of pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone has a molecular weight of 350.49 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is sourced from PubChem (CID 97384985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).