5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid

C9H9N3O2S2 — CID 64629293

IUPAC5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1scnc1C(=O)O)c1nccs1
InChIInChI=1S/C9H9N3O2S2/c1-5(7-10-2-3-15-7)12-8-6(9(13)14)11-4-16-8/h2-5,12H,1H3,(H,13,14)
InChIKeyPUSVCUBLUFPWMS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.47
Rot. Bonds4

About 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid

5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 64629293) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID64629293
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1scnc1C(=O)O)c1nccs1
InChIInChI=1S/C9H9N3O2S2/c1-5(7-10-2-3-15-7)12-8-6(9(13)14)11-4-16-8/h2-5,12H,1H3,(H,13,14)
InChIKeyPUSVCUBLUFPWMS-UHFFFAOYSA-N
XLogP2.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80516783
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214454
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
2-[1-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]ethyl]pyridine-4-carboxylic acid
CID 118420796
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
CID 64993357

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid (CID 64629293) is 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid is CC(Nc1scnc1C(=O)O)c1nccs1.
What is the InChIKey of 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PUSVCUBLUFPWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-5(7-10-2-3-15-7)12-8-6(9(13)14)11-4-16-8/h2-5,12H,1H3,(H,13,14).
What are the key properties of 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid?
5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).