1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid

C17H23N3O3S2 — CID 122117790

IUPAC1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCN(CC)c1nc2sc(C(=O)N3CC(C)CC(C(=O)O)C3)cc2s1
InChIInChI=1S/C17H23N3O3S2/c1-4-19(5-2)17-18-14-12(25-17)7-13(24-14)15(21)20-8-10(3)6-11(9-20)16(22)23/h7,10-11H,4-6,8-9H2,1-3H3,(H,22,23)
InChIKeyCTAGFRICSOWPFX-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.39
Rot. Bonds5

About 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117790) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122117790
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCN(CC)c1nc2sc(C(=O)N3CC(C)CC(C(=O)O)C3)cc2s1
InChIInChI=1S/C17H23N3O3S2/c1-4-19(5-2)17-18-14-12(25-17)7-13(24-14)15(21)20-8-10(3)6-11(9-20)16(22)23/h7,10-11H,4-6,8-9H2,1-3H3,(H,22,23)
InChIKeyCTAGFRICSOWPFX-UHFFFAOYSA-N
XLogP3.39
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47069873
1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118960
5-methyl-1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118137
5-methyl-1-(5-nitro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 122119411
1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119428
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
1-(1-benzothiophene-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118282
5-methyl-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117781
(2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 75405859
5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122118795
N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119567442
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122117790) is 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid is CCN(CC)c1nc2sc(C(=O)N3CC(C)CC(C(=O)O)C3)cc2s1.
What is the InChIKey of 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is CTAGFRICSOWPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-4-19(5-2)17-18-14-12(25-17)7-13(24-14)15(21)20-8-10(3)6-11(9-20)16(22)23/h7,10-11H,4-6,8-9H2,1-3H3,(H,22,23).
What are the key properties of 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 381.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).