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

C16H25N3OS — CID 95042861

IUPAC1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESc1csc(CN2CCC3(CC2)COCCN3CC2CC2)n1
InChIInChI=1S/C16H25N3OS/c1-2-14(1)11-19-8-9-20-13-16(19)3-6-18(7-4-16)12-15-17-5-10-21-15/h5,10,14H,1-4,6-9,11-13H2
InChIKeyRSSAOYJUGHKXNZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.22
Rot. Bonds4

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

1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 95042861) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID95042861
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESc1csc(CN2CCC3(CC2)COCCN3CC2CC2)n1
InChIInChI=1S/C16H25N3OS/c1-2-14(1)11-19-8-9-20-13-16(19)3-6-18(7-4-16)12-15-17-5-10-21-15/h5,10,14H,1-4,6-9,11-13H2
InChIKeyRSSAOYJUGHKXNZ-UHFFFAOYSA-N
XLogP2.22
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 95042861) is 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is c1csc(CN2CCC3(CC2)COCCN3CC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is RSSAOYJUGHKXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-14(1)11-19-8-9-20-13-16(19)3-6-18(7-4-16)12-15-17-5-10-21-15/h5,10,14H,1-4,6-9,11-13H2.
What are the key properties of 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 307.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 95042861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).