(5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

C17H22N4OS2 — CID 97374175

IUPAC(5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cs1
InChIInChI=1S/C17H22N4OS2/c1-12-18-14(8-23-12)6-20-4-3-17(10-20)5-16(22)21(11-17)7-15-9-24-13(2)19-15/h8-9H,3-7,10-11H2,1-2H3/t17-/m1/s1
InChIKeyDFDCYRKIGLUZPW-QGZVFWFLSA-N
MW362.52 g/mol
LogP2.84
Rot. Bonds4

About (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

(5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374175) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374175
Molecular FormulaC17H22N4OS2
Molecular Weight362.52 g/mol
Exact Mass362.12
IUPAC Name(5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cs1
InChIInChI=1S/C17H22N4OS2/c1-12-18-14(8-23-12)6-20-4-3-17(10-20)5-16(22)21(11-17)7-15-9-24-13(2)19-15/h8-9H,3-7,10-11H2,1-2H3/t17-/m1/s1
InChIKeyDFDCYRKIGLUZPW-QGZVFWFLSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 97374175) is (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is Cc1nc(CN2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cs1.
What is the InChIKey of (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is DFDCYRKIGLUZPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4OS2/c1-12-18-14(8-23-12)6-20-4-3-17(10-20)5-16(22)21(11-17)7-15-9-24-13(2)19-15/h8-9H,3-7,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
(5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 362.52 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).