9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H23N3O3S — CID 97471462

IUPAC9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(CN2CC3(CCN(C(=O)C4CC4)CC3)OCC2=O)cs1
InChIInChI=1S/C17H23N3O3S/c1-12-18-14(10-24-12)8-20-11-17(23-9-15(20)21)4-6-19(7-5-17)16(22)13-2-3-13/h10,13H,2-9,11H2,1H3
InChIKeyQHKUGRDKGFCNJP-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.58
Rot. Bonds3

About 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471462) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471462
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(CN2CC3(CCN(C(=O)C4CC4)CC3)OCC2=O)cs1
InChIInChI=1S/C17H23N3O3S/c1-12-18-14(10-24-12)8-20-11-17(23-9-15(20)21)4-6-19(7-5-17)16(22)13-2-3-13/h10,13H,2-9,11H2,1H3
InChIKeyQHKUGRDKGFCNJP-UHFFFAOYSA-N
XLogP1.58
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471462) is 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1nc(CN2CC3(CCN(C(=O)C4CC4)CC3)OCC2=O)cs1.
What is the InChIKey of 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QHKUGRDKGFCNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-18-14(10-24-12)8-20-11-17(23-9-15(20)21)4-6-19(7-5-17)16(22)13-2-3-13/h10,13H,2-9,11H2,1H3.
What are the key properties of 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 349.46 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).