(5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C16H25N3OS — CID 97384981

IUPAC(5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1csc(CN2CC[C@]3(COCCN(CC4CC4)C3)C2)n1
InChIInChI=1S/C16H25N3OS/c1-2-14(1)9-19-6-7-20-13-16(12-19)3-5-18(11-16)10-15-17-4-8-21-15/h4,8,14H,1-3,5-7,9-13H2/t16-/m0/s1
InChIKeyGUCRHFUOYHAHRM-INIZCTEOSA-N
MW307.46 g/mol
LogP2.08
Rot. Bonds4

About (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384981) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384981
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1csc(CN2CC[C@]3(COCCN(CC4CC4)C3)C2)n1
InChIInChI=1S/C16H25N3OS/c1-2-14(1)9-19-6-7-20-13-16(12-19)3-5-18(11-16)10-15-17-4-8-21-15/h4,8,14H,1-3,5-7,9-13H2/t16-/m0/s1
InChIKeyGUCRHFUOYHAHRM-INIZCTEOSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384981) is (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is c1csc(CN2CC[C@]3(COCCN(CC4CC4)C3)C2)n1.
What is the InChIKey of (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is GUCRHFUOYHAHRM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-14(1)9-19-6-7-20-13-16(12-19)3-5-18(11-16)10-15-17-4-8-21-15/h4,8,14H,1-3,5-7,9-13H2/t16-/m0/s1.
What are the key properties of (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 307.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-10-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).