2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C14H19N3O3S — CID 66372819

IUPAC2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)NC1CC2CCC1C2)c1nc(C(=O)O)cs1
InChIInChI=1S/C14H19N3O3S/c1-7(12-16-11(6-21-12)13(18)19)15-14(20)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyVYHVYNLYALLSEA-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.39
Rot. Bonds4

About 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66372819) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66372819
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)NC1CC2CCC1C2)c1nc(C(=O)O)cs1
InChIInChI=1S/C14H19N3O3S/c1-7(12-16-11(6-21-12)13(18)19)15-14(20)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyVYHVYNLYALLSEA-UHFFFAOYSA-N
XLogP2.39
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
2-[1-[(4-methylcyclohexyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375442
2-[1-(cyclohex-3-en-1-ylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372633
2-[1-(2-cyclopropylethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372441
2-[1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106257771
2-[1-[(1-methylpiperidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374686
2-[1-[(6-oxopiperidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374350
2-[1-[3-(cyclopropylamino)propylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374308
2-[1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374683
2-[1-[3-(cyclopropylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379233
(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
CID 78995764
2-[1-(hexan-2-ylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372431

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66372819) is 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)NC1CC2CCC1C2)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VYHVYNLYALLSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-7(12-16-11(6-21-12)13(18)19)15-14(20)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,18,19)(H2,15,17,20).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66372819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).