(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid

C9H11N3O3S2 — CID 66376704

IUPAC(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESNCc1nc(C(=O)N2CSC[C@H]2C(=O)O)cs1
InChIInChI=1S/C9H11N3O3S2/c10-1-7-11-5(2-17-7)8(13)12-4-16-3-6(12)9(14)15/h2,6H,1,3-4,10H2,(H,14,15)/t6-/m0/s1
InChIKeyBHHZIXDFIKDQSI-LURJTMIESA-N
MW273.34 g/mol
LogP0.20
Rot. Bonds3

About (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66376704) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID66376704
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESNCc1nc(C(=O)N2CSC[C@H]2C(=O)O)cs1
InChIInChI=1S/C9H11N3O3S2/c10-1-7-11-5(2-17-7)8(13)12-4-16-3-6(12)9(14)15/h2,6H,1,3-4,10H2,(H,14,15)/t6-/m0/s1
InChIKeyBHHZIXDFIKDQSI-LURJTMIESA-N
XLogP0.20
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62789131
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 66380813
(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65214603
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 66376509
5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 66377878
N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 146084739
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 115496373

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 66376704) is (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid is NCc1nc(C(=O)N2CSC[C@H]2C(=O)O)cs1.
What is the InChIKey of (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BHHZIXDFIKDQSI-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O3S2/c10-1-7-11-5(2-17-7)8(13)12-4-16-3-6(12)9(14)15/h2,6H,1,3-4,10H2,(H,14,15)/t6-/m0/s1.
What are the key properties of (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66376704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).