2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid

C12H19N3O3S — CID 65224155

IUPAC2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC(C)c1nccs1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-3-4-9(11(16)17)7-14-12(18)15-8(2)10-13-5-6-19-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyQFMZGQMQENILKP-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.00
Rot. Bonds7

About 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid

2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid (PubChem CID 65224155) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
PubChem CID65224155
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC(C)c1nccs1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-3-4-9(11(16)17)7-14-12(18)15-8(2)10-13-5-6-19-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyQFMZGQMQENILKP-UHFFFAOYSA-N
XLogP2.00
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 107474465
2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid
CID 65221822
2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65223595
2-[[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 113387472
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
1-[(1-ethylcyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96535038
2-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65221198
2-[2-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373012
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95758195
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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid (CID 65224155) is 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NC(C)c1nccs1)C(=O)O.
What is the InChIKey of 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is QFMZGQMQENILKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-4-9(11(16)17)7-14-12(18)15-8(2)10-13-5-6-19-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid?
2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65224155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).