2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C9H13N3O3S — CID 63628145

IUPAC2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCNC(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C9H13N3O3S/c1-3-10-9(15)11-4-6-12-5(2)7(16-6)8(13)14/h3-4H2,1-2H3,(H,13,14)(H2,10,11,15)
InChIKeyMDNYSZDEEQTLGY-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.97
Rot. Bonds4

About 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63628145) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID63628145
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCNC(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C9H13N3O3S/c1-3-10-9(15)11-4-6-12-5(2)7(16-6)8(13)14/h3-4H2,1-2H3,(H,13,14)(H2,10,11,15)
InChIKeyMDNYSZDEEQTLGY-UHFFFAOYSA-N
XLogP0.97
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylaminocarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83019638
2-[(2-ethoxyethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628503
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
2-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628853
2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 114943629
2-[[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63630038
4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 106402786
2-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63630344
4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 83142565
2-[(but-3-yn-2-ylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 114418644
2-[(3-aminopropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63627979
4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628327

Frequently Asked Questions

What is the IUPAC name of 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 63628145) is 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCNC(=O)NCc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MDNYSZDEEQTLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-10-9(15)11-4-6-12-5(2)7(16-6)8(13)14/h3-4H2,1-2H3,(H,13,14)(H2,10,11,15).
What are the key properties of 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63628145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).