4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid

C15H22N2O4S — CID 120542951

IUPAC4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCCc1nc(C)c(C(=O)NCC2(C(=O)O)CCOCC2)s1
InChIInChI=1S/C15H22N2O4S/c1-3-4-11-17-10(2)12(22-11)13(18)16-9-15(14(19)20)5-7-21-8-6-15/h3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyQGUTVPSWDJTNQP-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.02
Rot. Bonds6

About 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 120542951) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID120542951
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCCc1nc(C)c(C(=O)NCC2(C(=O)O)CCOCC2)s1
InChIInChI=1S/C15H22N2O4S/c1-3-4-11-17-10(2)12(22-11)13(18)16-9-15(14(19)20)5-7-21-8-6-15/h3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyQGUTVPSWDJTNQP-UHFFFAOYSA-N
XLogP2.02
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542359
1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544431
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214688
4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439957
4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542195
4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438216
4-[[(2-methyl-1,3-benzothiazole-7-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 166295834
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
4-[[[2-oxo-2-(propylamino)ethyl]carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440363
4-[[[2-(5-methylthiophen-2-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542368

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 120542951) is 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid is CCCc1nc(C)c(C(=O)NCC2(C(=O)O)CCOCC2)s1.
What is the InChIKey of 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is QGUTVPSWDJTNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-4-11-17-10(2)12(22-11)13(18)16-9-15(14(19)20)5-7-21-8-6-15/h3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 326.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120542951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).