(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone

C18H28N4O3S — CID 155492369

IUPAC(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CCN(C)C2(CCOCC2)C1
InChIInChI=1S/C18H28N4O3S/c1-14-15(26-17(19-14)21-7-11-25-12-8-21)16(23)22-6-5-20(2)18(13-22)3-9-24-10-4-18/h3-13H2,1-2H3
InChIKeyUWMSMNRBFPCQRV-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.22
Rot. Bonds2

About (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone

(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 155492369) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
PubChem CID155492369
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CCN(C)C2(CCOCC2)C1
InChIInChI=1S/C18H28N4O3S/c1-14-15(26-17(19-14)21-7-11-25-12-8-21)16(23)22-6-5-20(2)18(13-22)3-9-24-10-4-18/h3-13H2,1-2H3
InChIKeyUWMSMNRBFPCQRV-UHFFFAOYSA-N
XLogP1.22
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone (CID 155492369) is (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone is Cc1nc(N2CCOCC2)sc1C(=O)N1CCN(C)C2(CCOCC2)C1.
What is the InChIKey of (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is UWMSMNRBFPCQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-14-15(26-17(19-14)21-7-11-25-12-8-21)16(23)22-6-5-20(2)18(13-22)3-9-24-10-4-18/h3-13H2,1-2H3.
What are the key properties of (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone?
(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 155492369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).