2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid

C16H19NO3S — CID 57157244

IUPAC2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
SMILESCC(C)(C)c1csc(CCOc2ccccc2C(=O)O)n1
InChIInChI=1S/C16H19NO3S/c1-16(2,3)13-10-21-14(17-13)8-9-20-12-7-5-4-6-11(12)15(18)19/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyKIHCVBOKUDOJTH-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.76
Rot. Bonds5

About 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid

2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid (PubChem CID 57157244) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
PubChem CID57157244
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
SMILESCC(C)(C)c1csc(CCOc2ccccc2C(=O)O)n1
InChIInChI=1S/C16H19NO3S/c1-16(2,3)13-10-21-14(17-13)8-9-20-12-7-5-4-6-11(12)15(18)19/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyKIHCVBOKUDOJTH-UHFFFAOYSA-N
XLogP3.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-4-methoxybenzoic acid (2-methyl-4-thiazolyl)methyl ester
CID 2475805
Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-
CID 215199
3-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzoic acid
CID 7131859
3-(2-Methyl-1,3-thiazol-4-yl)-2H-chromen-2-one
CID 389233
2-[(2-Propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38866514
2-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 4962844
2-((1,3-Thiazol-4-yl)methoxy)benzoic acid
CID 7130681
(2E)-3-(2-((2-methyl-1,3-thiazol-4-yl)methoxy)phenyl)prop-2-enoic acid
CID 16227573
4-Hydroxy-3-(2-methylthiazol-4-yl)chromen-2-one
CID 54689107
2-[2-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethoxy]benzoic acid
CID 121569103
2-[2-[3-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541404
4-(2-{2-[(2-Tert-butoxy-1,1-dimethyl-2-oxoethyl)thio]-1,3-thiazol-4-yl}ethoxy)-4'-fluoro-biphenyl-3-carboxylic acid methyl ester
CID 59758832

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid (CID 57157244) is 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid is CC(C)(C)c1csc(CCOc2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid?
The InChIKey is KIHCVBOKUDOJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-16(2,3)13-10-21-14(17-13)8-9-20-12-7-5-4-6-11(12)15(18)19/h4-7,10H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid?
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid has a molecular weight of 305.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 57157244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).