2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid

C11H15N3O3S — CID 116697089

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(CCNC(=O)c1nc(C(=O)O)cs1)C1CC1
InChIInChI=1S/C11H15N3O3S/c1-14(7-2-3-7)5-4-12-9(15)10-13-8(6-18-10)11(16)17/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyZOSUBIZCXFHROE-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.67
Rot. Bonds6

About 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid

2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116697089) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116697089
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(CCNC(=O)c1nc(C(=O)O)cs1)C1CC1
InChIInChI=1S/C11H15N3O3S/c1-14(7-2-3-7)5-4-12-9(15)10-13-8(6-18-10)11(16)17/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyZOSUBIZCXFHROE-UHFFFAOYSA-N
XLogP0.67
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(((Tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylic acid
CID 10199046
Cobicistat metabolite M9.1
CID 69479782
Nsc143131
CID 10081356
2-(Aminomethyl)-1,3-thiazole-4-carboxylic acid
CID 422292
2-(2-(((Tert-butoxy)carbonyl)amino)ethyl)-1,3-thiazole-4-carboxylic acid
CID 15046418
2-(1-(((Tert-butoxy)carbonyl)amino)ethyl)-1,3-thiazole-4-carboxylic acid
CID 21634039
2-Carbamoyl-1,3-thiazole-4-carboxylic acid
CID 57487896
2-(2-Aminoethyl)-1,3-thiazole-4-carboxylic acid
CID 422293
2-(1-Amino-3-methyl-butyl)thiazole-4-carboxylic acid
CID 485050
4-Thiazolecarboxylic acid, 2-[(2-propen-1-ylamino)carbonyl]-
CID 50990524
2-(Aminomethyl)-1,3-thiazole-4-carboxylic acid dihydrochloride
CID 75480570
2-[2-(2-Acetamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
CID 324009

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116697089) is 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid is CN(CCNC(=O)c1nc(C(=O)O)cs1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZOSUBIZCXFHROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-14(7-2-3-7)5-4-12-9(15)10-13-8(6-18-10)11(16)17/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).