2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

C19H23N3O2S2 — CID 131680511

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1nc(CN2CCCC3(CCN(C(=O)c4ccsc4)CC3)C2=O)cs1
InChIInChI=1S/C19H23N3O2S2/c1-14-20-16(13-26-14)11-22-7-2-4-19(18(22)24)5-8-21(9-6-19)17(23)15-3-10-25-12-15/h3,10,12-13H,2,4-9,11H2,1H3
InChIKeyCBQAPTJXVFLQMF-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.56
Rot. Bonds3

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 131680511) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID131680511
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1nc(CN2CCCC3(CCN(C(=O)c4ccsc4)CC3)C2=O)cs1
InChIInChI=1S/C19H23N3O2S2/c1-14-20-16(13-26-14)11-22-7-2-4-19(18(22)24)5-8-21(9-6-19)17(23)15-3-10-25-12-15/h3,10,12-13H,2,4-9,11H2,1H3
InChIKeyCBQAPTJXVFLQMF-UHFFFAOYSA-N
XLogP3.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 131680511) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is Cc1nc(CN2CCCC3(CCN(C(=O)c4ccsc4)CC3)C2=O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is CBQAPTJXVFLQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-14-20-16(13-26-14)11-22-7-2-4-19(18(22)24)5-8-21(9-6-19)17(23)15-3-10-25-12-15/h3,10,12-13H,2,4-9,11H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 389.55 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 131680511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).