2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

C13H20N2O3S — CID 115423992

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOCCN(c1nc(C(=O)O)c(C)s1)C(C)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-8(10-4-5-10)15(6-7-18-3)13-14-11(12(16)17)9(2)19-13/h8,10H,4-7H2,1-3H3,(H,16,17)
InChIKeyNOJQKKKEJGIXBD-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.40
Rot. Bonds7

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

2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423992) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423992
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOCCN(c1nc(C(=O)O)c(C)s1)C(C)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-8(10-4-5-10)15(6-7-18-3)13-14-11(12(16)17)9(2)19-13/h8,10H,4-7H2,1-3H3,(H,16,17)
InChIKeyNOJQKKKEJGIXBD-UHFFFAOYSA-N
XLogP2.40
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692503
4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63918151
2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 104527701
N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 62752730
ethyl 2-[1-cyclopropylethyl(methyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526532
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbenzoic acid
CID 107112105
4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 64545176
4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63916238
5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697259
2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422730
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696934

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423992) is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is COCCN(c1nc(C(=O)O)c(C)s1)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is NOJQKKKEJGIXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8(10-4-5-10)15(6-7-18-3)13-14-11(12(16)17)9(2)19-13/h8,10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).