1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

C17H27N3OS — CID 97491914

IUPAC1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCC3(CC2)COCCN3CC2CC2)cs1
InChIInChI=1S/C17H27N3OS/c1-14-18-16(12-22-14)11-19-6-4-17(5-7-19)13-21-9-8-20(17)10-15-2-3-15/h12,15H,2-11,13H2,1H3
InChIKeyJIBPWFFAXBNKLR-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.53
Rot. Bonds4

About 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97491914) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97491914
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCC3(CC2)COCCN3CC2CC2)cs1
InChIInChI=1S/C17H27N3OS/c1-14-18-16(12-22-14)11-19-6-4-17(5-7-19)13-21-9-8-20(17)10-15-2-3-15/h12,15H,2-11,13H2,1H3
InChIKeyJIBPWFFAXBNKLR-UHFFFAOYSA-N
XLogP2.53
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
9-(Cyclopropylmethyl)-5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118743645
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77079650
1-(Cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155850766
9-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155851390
4-{1-[(4-Isopropyl-1,3-thiazol-2-yl)methyl]-3-piperidinyl}morpholine
CID 45169420
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396349
1-Methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396370
2-Methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
CID 97409237
9-(Cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471457
9-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97491901

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97491914) is 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1nc(CN2CCC3(CC2)COCCN3CC2CC2)cs1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is JIBPWFFAXBNKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-14-18-16(12-22-14)11-19-6-4-17(5-7-19)13-21-9-8-20(17)10-15-2-3-15/h12,15H,2-11,13H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 321.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97491914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).