2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C13H19N3O3S — CID 66374345

IUPAC2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)N(C)CC1CCC1)c1nc(C(=O)O)cs1
InChIInChI=1S/C13H19N3O3S/c1-8(11-15-10(7-20-11)12(17)18)14-13(19)16(2)6-9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKCAOAZKHHSKIJI-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.34
Rot. Bonds5

About 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374345) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374345
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)N(C)CC1CCC1)c1nc(C(=O)O)cs1
InChIInChI=1S/C13H19N3O3S/c1-8(11-15-10(7-20-11)12(17)18)14-13(19)16(2)6-9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKCAOAZKHHSKIJI-UHFFFAOYSA-N
XLogP2.34
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372952
2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374134
2-[1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372818
2-[1-(2-cyclopropylethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372441
2-[1-[(1-methylpiperidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374686
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
2-[1-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379039
2-[1-[(2-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373887
2-[1-[3-(cyclopropylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379233
2-[2-[[cyclopropylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373922
2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104855810

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374345) is 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)N(C)CC1CCC1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KCAOAZKHHSKIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8(11-15-10(7-20-11)12(17)18)14-13(19)16(2)6-9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).