10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C17H23N5OS — CID 118746437

IUPAC10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1nc(CN2CCOCC3(CCN(c4ncccn4)C3)C2)cs1
InChIInChI=1S/C17H23N5OS/c1-14-20-15(10-24-14)9-21-7-8-23-13-17(11-21)3-6-22(12-17)16-18-4-2-5-19-16/h2,4-5,10H,3,6-9,11-13H2,1H3
InChIKeyHPJCEZRLQUOAQH-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.97
Rot. Bonds3

About 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746437) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746437
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1nc(CN2CCOCC3(CCN(c4ncccn4)C3)C2)cs1
InChIInChI=1S/C17H23N5OS/c1-14-20-15(10-24-14)9-21-7-8-23-13-17(11-21)3-6-22(12-17)16-18-4-2-5-19-16/h2,4-5,10H,3,6-9,11-13H2,1H3
InChIKeyHPJCEZRLQUOAQH-UHFFFAOYSA-N
XLogP1.97
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746437) is 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1nc(CN2CCOCC3(CCN(c4ncccn4)C3)C2)cs1.
What is the InChIKey of 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is HPJCEZRLQUOAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-14-20-15(10-24-14)9-21-7-8-23-13-17(11-21)3-6-22(12-17)16-18-4-2-5-19-16/h2,4-5,10H,3,6-9,11-13H2,1H3.
What are the key properties of 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 345.47 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).