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

C16H25N3OS — CID 97372275

IUPAC9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1csc(CN2CCOC3(CCN(CC4CC4)CC3)C2)n1
InChIInChI=1S/C16H25N3OS/c1-2-14(1)11-18-6-3-16(4-7-18)13-19(8-9-20-16)12-15-17-5-10-21-15/h5,10,14H,1-4,6-9,11-13H2
InChIKeyNHBIKASGUIHQRM-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.22
Rot. Bonds4

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

9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97372275) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97372275
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1csc(CN2CCOC3(CCN(CC4CC4)CC3)C2)n1
InChIInChI=1S/C16H25N3OS/c1-2-14(1)11-18-6-3-16(4-7-18)13-19(8-9-20-16)12-15-17-5-10-21-15/h5,10,14H,1-4,6-9,11-13H2
InChIKeyNHBIKASGUIHQRM-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 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97372275) is 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is c1csc(CN2CCOC3(CCN(CC4CC4)CC3)C2)n1.
What is the InChIKey of 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is NHBIKASGUIHQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-14(1)11-18-6-3-16(4-7-18)13-19(8-9-20-16)12-15-17-5-10-21-15/h5,10,14H,1-4,6-9,11-13H2.
What are the key properties of 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-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 9-(cyclopropylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).