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

C13H15N3O3S2 — CID 119356093

IUPAC1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)c1nc2sc(C(=O)N3CCCC3C(=O)O)cc2s1
InChIInChI=1S/C13H15N3O3S2/c1-15(2)13-14-10-8(21-13)6-9(20-10)11(17)16-5-3-4-7(16)12(18)19/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyHLCQPBMGSHDRLU-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.11
Rot. Bonds3

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

1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356093) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119356093
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)c1nc2sc(C(=O)N3CCCC3C(=O)O)cc2s1
InChIInChI=1S/C13H15N3O3S2/c1-15(2)13-14-10-8(21-13)6-9(20-10)11(17)16-5-3-4-7(16)12(18)19/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyHLCQPBMGSHDRLU-UHFFFAOYSA-N
XLogP2.11
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride
CID 119467833
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277
(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 51888539
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
(2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 47818747
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119590474
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 78979821
2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 94491732
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418
1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47069873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid (CID 119356093) is 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid is CN(C)c1nc2sc(C(=O)N3CCCC3C(=O)O)cc2s1.
What is the InChIKey of 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HLCQPBMGSHDRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-15(2)13-14-10-8(21-13)6-9(20-10)11(17)16-5-3-4-7(16)12(18)19/h6-7H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 325.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).