3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide

C21H22N2O3S — CID 51262177

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1cccc(OCc2csc(C)n2)c1
InChIInChI=1S/C21H22N2O3S/c1-3-11-25-20-10-5-4-9-19(20)23-21(24)16-7-6-8-18(12-16)26-13-17-14-27-15(2)22-17/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,24)
InChIKeyYCSVHJRALJCSLZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.07
Rot. Bonds8

About 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide (PubChem CID 51262177) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide
PubChem CID51262177
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1cccc(OCc2csc(C)n2)c1
InChIInChI=1S/C21H22N2O3S/c1-3-11-25-20-10-5-4-9-19(20)23-21(24)16-7-6-8-18(12-16)26-13-17-14-27-15(2)22-17/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,24)
InChIKeyYCSVHJRALJCSLZ-UHFFFAOYSA-N
XLogP5.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43072092
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16571914
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38323896
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55878584
methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 55445792
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1H-pyrazol-5-yl)benzamide
CID 47835663
N-(5-chloro-2-pyridinyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34137278
N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26649681
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38403977
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
CID 55445874

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide (CID 51262177) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1cccc(OCc2csc(C)n2)c1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide?
The InChIKey is YCSVHJRALJCSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-11-25-20-10-5-4-9-19(20)23-21(24)16-7-6-8-18(12-16)26-13-17-14-27-15(2)22-17/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,24).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide?
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide has a molecular weight of 382.49 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 51262177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).