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

C18H24N4OS — CID 118746212

IUPAC10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1nc(CN2CCOCC3(CCN(c4ccccn4)C3)C2)cs1
InChIInChI=1S/C18H24N4OS/c1-15-20-16(11-24-15)10-21-8-9-23-14-18(12-21)5-7-22(13-18)17-4-2-3-6-19-17/h2-4,6,11H,5,7-10,12-14H2,1H3
InChIKeyWJHCOUXHBTZPGC-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.58
Rot. Bonds3

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

10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746212) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746212
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1nc(CN2CCOCC3(CCN(c4ccccn4)C3)C2)cs1
InChIInChI=1S/C18H24N4OS/c1-15-20-16(11-24-15)10-21-8-9-23-14-18(12-21)5-7-22(13-18)17-4-2-3-6-19-17/h2-4,6,11H,5,7-10,12-14H2,1H3
InChIKeyWJHCOUXHBTZPGC-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
CID 71914448
4-(4-Pyridin-2-yl-1,3-thiazol-2-yl)morpholine
CID 118314642
2-Pyridinamine, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-(2-thienylmethyl)-
CID 3062730
2-(1-(3-methylbutyl)-4-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16191354
3-(6-Methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399502
(5aR,9aS)-8-(6-methyl-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97403398
11-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97502638
11-Pyridin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118739514
2-(Pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118740917
2-Pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118744203
2-Pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118745590
2-methyl-4-[[8-methyl-4-(oxolan-3-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 118745690

Frequently Asked Questions

What is the IUPAC name of 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746212) is 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-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-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1nc(CN2CCOCC3(CCN(c4ccccn4)C3)C2)cs1.
What is the InChIKey of 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is WJHCOUXHBTZPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15-20-16(11-24-15)10-21-8-9-23-14-18(12-21)5-7-22(13-18)17-4-2-3-6-19-17/h2-4,6,11H,5,7-10,12-14H2,1H3.
What are the key properties of 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 344.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).