[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone

C18H28N2O2S — CID 119043710

IUPAC[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
SMILESCc1nc(CC(C)C)c(C(=O)N2CCOCC3(CCCC3)C2)s1
InChIInChI=1S/C18H28N2O2S/c1-13(2)10-15-16(23-14(3)19-15)17(21)20-8-9-22-12-18(11-20)6-4-5-7-18/h13H,4-12H2,1-3H3
InChIKeyCIBVFLCOBSRKRF-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.68
Rot. Bonds3

About [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone

[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone (PubChem CID 119043710) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone.

Molecular Properties

Compound Name[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
PubChem CID119043710
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
SMILESCc1nc(CC(C)C)c(C(=O)N2CCOCC3(CCCC3)C2)s1
InChIInChI=1S/C18H28N2O2S/c1-13(2)10-15-16(23-14(3)19-15)17(21)20-8-9-22-12-18(11-20)6-4-5-7-18/h13H,4-12H2,1-3H3
InChIKeyCIBVFLCOBSRKRF-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone?
The IUPAC name of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone (CID 119043710) is [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone.
What is the SMILES notation for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone?
The canonical SMILES for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone is Cc1nc(CC(C)C)c(C(=O)N2CCOCC3(CCCC3)C2)s1.
What is the InChIKey of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone?
The InChIKey is CIBVFLCOBSRKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-13(2)10-15-16(23-14(3)19-15)17(21)20-8-9-22-12-18(11-20)6-4-5-7-18/h13H,4-12H2,1-3H3.
What are the key properties of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone?
[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone has a molecular weight of 336.50 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone is sourced from PubChem (CID 119043710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).