1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid

C19H22N2O4S2 — CID 164697025

IUPAC1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
SMILESCCCc1nc(C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cs1
InChIInChI=1S/C19H22N2O4S2/c1-2-3-16-20-13(11-26-16)17(22)21-7-5-19(6-8-21)12-10-15(18(23)24)27-14(12)4-9-25-19/h10-11H,2-9H2,1H3,(H,23,24)
InChIKeyRUDUTMRSPQEXBB-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.56
Rot. Bonds4

About 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid

1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid (PubChem CID 164697025) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid.

Molecular Properties

Compound Name1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
PubChem CID164697025
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
SMILESCCCc1nc(C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cs1
InChIInChI=1S/C19H22N2O4S2/c1-2-3-16-20-13(11-26-16)17(22)21-7-5-19(6-8-21)12-10-15(18(23)24)27-14(12)4-9-25-19/h10-11H,2-9H2,1H3,(H,23,24)
InChIKeyRUDUTMRSPQEXBB-UHFFFAOYSA-N
XLogP3.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid 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 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?
The IUPAC name of 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid (CID 164697025) is 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid.
What is the SMILES notation for 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?
The canonical SMILES for 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid is CCCc1nc(C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cs1.
What is the InChIKey of 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?
The InChIKey is RUDUTMRSPQEXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-2-3-16-20-13(11-26-16)17(22)21-7-5-19(6-8-21)12-10-15(18(23)24)27-14(12)4-9-25-19/h10-11H,2-9H2,1H3,(H,23,24).
What are the key properties of 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?
1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid has a molecular weight of 406.53 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid is sourced from PubChem (CID 164697025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).