4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide

C18H24N2O3S — CID 111466309

IUPAC4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(OCc2csc(C(C)(C)C)n2)cc1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)17-19-14(12-24-17)11-23-15-7-5-13(6-8-15)16(22)20(4)9-10-21/h5-8,12,21H,9-11H2,1-4H3
InChIKeyQXOQVPWYXQARGL-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.08
Rot. Bonds6

About 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide

4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 111466309) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID111466309
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(OCc2csc(C(C)(C)C)n2)cc1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)17-19-14(12-24-17)11-23-15-7-5-13(6-8-15)16(22)20(4)9-10-21/h5-8,12,21H,9-11H2,1-4H3
InChIKeyQXOQVPWYXQARGL-UHFFFAOYSA-N
XLogP3.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol
CID 111630061
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 110891814
N-(2-hydroxyethyl)-N-methyl-4-(1,2-oxazol-3-ylmethoxy)benzamide
CID 75374011
4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 86795441
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466308
N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46418251
4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466311
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110922256
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 27807598
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119256010
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methyl-1-(4-phenylbutyl)urea
CID 86880064

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide (CID 111466309) is 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1ccc(OCc2csc(C(C)(C)C)n2)cc1.
What is the InChIKey of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is QXOQVPWYXQARGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-18(2,3)17-19-14(12-24-17)11-23-15-7-5-13(6-8-15)16(22)20(4)9-10-21/h5-8,12,21H,9-11H2,1-4H3.
What are the key properties of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 348.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 111466309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).