3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one

C15H21N3OS — CID 84585918

IUPAC3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCc1nc(C2NC3(CCCC3)C(=O)N2CC2CC2)cs1
InChIInChI=1S/C15H21N3OS/c1-10-16-12(9-20-10)13-17-15(6-2-3-7-15)14(19)18(13)8-11-4-5-11/h9,11,13,17H,2-8H2,1H3
InChIKeyLMXHFLWDIIYNCS-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.60
Rot. Bonds3

About 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one

3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 84585918) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID84585918
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCc1nc(C2NC3(CCCC3)C(=O)N2CC2CC2)cs1
InChIInChI=1S/C15H21N3OS/c1-10-16-12(9-20-10)13-17-15(6-2-3-7-15)14(19)18(13)8-11-4-5-11/h9,11,13,17H,2-8H2,1H3
InChIKeyLMXHFLWDIIYNCS-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 84585918) is 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is Cc1nc(C2NC3(CCCC3)C(=O)N2CC2CC2)cs1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is LMXHFLWDIIYNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-16-12(9-20-10)13-17-15(6-2-3-7-15)14(19)18(13)8-11-4-5-11/h9,11,13,17H,2-8H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 291.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 84585918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).