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

C11H17N3O4S — CID 66381131

IUPAC2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCN(CCO)C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H17N3O4S/c1-2-3-14(4-5-15)11(18)12-6-9-13-8(7-19-9)10(16)17/h7,15H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyUCIWELDIRUEVTE-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.76
Rot. Bonds7

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

2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66381131) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66381131
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCN(CCO)C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H17N3O4S/c1-2-3-14(4-5-15)11(18)12-6-9-13-8(7-19-9)10(16)17/h7,15H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyUCIWELDIRUEVTE-UHFFFAOYSA-N
XLogP0.76
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373894
2-[[bis(2-methoxyethyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380743
2-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102865455
2-[[bis(prop-2-enyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378783
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379968
2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63627993
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 110910909
2-[[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 79376567
methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110481709
2-[(dipropylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159949

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66381131) is 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is CCCN(CCO)C(=O)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UCIWELDIRUEVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-3-14(4-5-15)11(18)12-6-9-13-8(7-19-9)10(16)17/h7,15H,2-6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66381131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).