2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid

C10H15N3O4S — CID 102699579

IUPAC2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOC(C)CNC(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C10H15N3O4S/c1-6(17-2)3-11-10(16)12-4-8-13-7(5-18-8)9(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyOJIIGHDYHSDQTI-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.68
Rot. Bonds6

About 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid

2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 102699579) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID102699579
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOC(C)CNC(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C10H15N3O4S/c1-6(17-2)3-11-10(16)12-4-8-13-7(5-18-8)9(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyOJIIGHDYHSDQTI-UHFFFAOYSA-N
XLogP0.68
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethylpentan-2-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380184
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[(2-methylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379680
2-[(2,3-dimethylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380846
2-[[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106346510
2-[(1-phenylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379173
2-[[[(2S)-2-amino-3-methylpentanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380325
2-[(1-thiophen-2-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381318
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
2-[(3-methylpentan-3-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 106330610
2-[(1H-pyrazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379783

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 102699579) is 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid is COC(C)CNC(=O)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OJIIGHDYHSDQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-6(17-2)3-11-10(16)12-4-8-13-7(5-18-8)9(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 102699579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).