N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C21H22N2O3S — CID 110422465

IUPACN-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(CCC(=O)Nc3cc(C)ccc3OC)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-4-9-19(26-3)17(12-14)22-20(24)10-11-21-23-18(13-27-21)15-5-7-16(25-2)8-6-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)
InChIKeyTVASSTQUIAQGTQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.71
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 110422465) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID110422465
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(CCC(=O)Nc3cc(C)ccc3OC)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-4-9-19(26-3)17(12-14)22-20(24)10-11-21-23-18(13-27-21)15-5-7-16(25-2)8-6-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)
InChIKeyTVASSTQUIAQGTQ-UHFFFAOYSA-N
XLogP4.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
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N-(2-methoxy-5-methylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524655
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(3-cyanophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110428502
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110410518
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 110409063
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 28857238
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 110422465) is N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(CCC(=O)Nc3cc(C)ccc3OC)n2)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is TVASSTQUIAQGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-4-9-19(26-3)17(12-14)22-20(24)10-11-21-23-18(13-27-21)15-5-7-16(25-2)8-6-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 110422465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).