4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid

C14H19NO4S — CID 114360222

IUPAC4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCOC1(c2nc(C3CC3)c(C(=O)O)s2)CCOCC1
InChIInChI=1S/C14H19NO4S/c1-2-19-14(5-7-18-8-6-14)13-15-10(9-3-4-9)11(20-13)12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeySSPCMDDAOATYHK-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.76
Rot. Bonds5

About 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360222) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360222
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCOC1(c2nc(C3CC3)c(C(=O)O)s2)CCOCC1
InChIInChI=1S/C14H19NO4S/c1-2-19-14(5-7-18-8-6-14)13-15-10(9-3-4-9)11(20-13)12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeySSPCMDDAOATYHK-UHFFFAOYSA-N
XLogP2.76
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114361912
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 114360159
4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360216
N-[[4-cyclopropyl-2-(1-ethoxycyclopentyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367152
5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 106696270
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116775215
methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358517
2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359987
5-bromo-4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136964072
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774418

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid (CID 114360222) is 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid is CCOC1(c2nc(C3CC3)c(C(=O)O)s2)CCOCC1.
What is the InChIKey of 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SSPCMDDAOATYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-19-14(5-7-18-8-6-14)13-15-10(9-3-4-9)11(20-13)12(16)17/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).