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

C16H23N3OS — CID 75376879

IUPAC3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCc1nc(C2NC3(CCCC3)C(=O)N2CC2CC2)cs1
InChIInChI=1S/C16H23N3OS/c1-2-13-17-12(10-21-13)14-18-16(7-3-4-8-16)15(20)19(14)9-11-5-6-11/h10-11,14,18H,2-9H2,1H3
InChIKeyQQVBGGYSALDZQY-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.86
Rot. Bonds4

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

3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 75376879) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID75376879
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCc1nc(C2NC3(CCCC3)C(=O)N2CC2CC2)cs1
InChIInChI=1S/C16H23N3OS/c1-2-13-17-12(10-21-13)14-18-16(7-3-4-8-16)15(20)19(14)9-11-5-6-11/h10-11,14,18H,2-9H2,1H3
InChIKeyQQVBGGYSALDZQY-UHFFFAOYSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.86
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-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 75376879) is 3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is CCc1nc(C2NC3(CCCC3)C(=O)N2CC2CC2)cs1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is QQVBGGYSALDZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-13-17-12(10-21-13)14-18-16(7-3-4-8-16)15(20)19(14)9-11-5-6-11/h10-11,14,18H,2-9H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 305.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(2-ethyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 75376879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).