2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid

C16H19NO3S — CID 106511084

IUPAC2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCc1ccccc1-c1sc(C(C)(C)C)nc1C(=O)O
InChIInChI=1S/C16H19NO3S/c1-16(2,3)15-17-12(14(18)19)13(21-15)11-8-6-5-7-10(11)9-20-4/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyIQIFVMHXYWBNMZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.95
Rot. Bonds4

About 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid

2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106511084) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106511084
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCc1ccccc1-c1sc(C(C)(C)C)nc1C(=O)O
InChIInChI=1S/C16H19NO3S/c1-16(2,3)15-17-12(14(18)19)13(21-15)11-8-6-5-7-10(11)9-20-4/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyIQIFVMHXYWBNMZ-UHFFFAOYSA-N
XLogP3.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106696122
4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
2-tert-butyl-5-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106511070
5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
CID 54965438
2-[2-(methoxymethyl)phenyl]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 130399420
5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117337528
5-[2-(aminooxymethyl)phenyl]-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 130403722
5-(3-bromo-4-methylphenyl)-2-tert-butyl-1,3-thiazole-4-carboxylic acid
CID 106511009
2-bromo-5-[3-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510244
2-[2-(methoxymethyl)phenyl]-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxylic acid
CID 130398829
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid
CID 68547853

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid (CID 106511084) is 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid is COCc1ccccc1-c1sc(C(C)(C)C)nc1C(=O)O.
What is the InChIKey of 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IQIFVMHXYWBNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-16(2,3)15-17-12(14(18)19)13(21-15)11-8-6-5-7-10(11)9-20-4/h5-8H,9H2,1-4H3,(H,18,19).
What are the key properties of 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid?
2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106511084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).