4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid

C14H22N2O4S — CID 63916238

IUPAC4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCOCCN(c1nc(C2CC2)c(C(=O)O)s1)C(C)COC
InChIInChI=1S/C14H22N2O4S/c1-9(8-20-3)16(6-7-19-2)14-15-11(10-4-5-10)12(21-14)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyKZDSJCKLXIQTJB-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.21
Rot. Bonds9

About 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 63916238) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID63916238
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCOCCN(c1nc(C2CC2)c(C(=O)O)s1)C(C)COC
InChIInChI=1S/C14H22N2O4S/c1-9(8-20-3)16(6-7-19-2)14-15-11(10-4-5-10)12(21-14)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyKZDSJCKLXIQTJB-UHFFFAOYSA-N
XLogP2.21
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 63916238) is 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid is COCCN(c1nc(C2CC2)c(C(=O)O)s1)C(C)COC.
What is the InChIKey of 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is KZDSJCKLXIQTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9(8-20-3)16(6-7-19-2)14-15-11(10-4-5-10)12(21-14)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63916238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).