(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide

C21H22N2O3S — CID 7920239

IUPAC(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCOc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-13-25-17-11-9-16(10-12-17)19-14-27-21(22-19)23-20(24)15(2)26-18-7-5-4-6-8-18/h4-12,14-15H,3,13H2,1-2H3,(H,22,23,24)/t15-/m1/s1
InChIKeyVUUKYDRHMSAHOJ-OAHLLOKOSA-N
MW382.49 g/mol
LogP5.00
Rot. Bonds8

About (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide

(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 7920239) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID7920239
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCOc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-13-25-17-11-9-16(10-12-17)19-14-27-21(22-19)23-20(24)15(2)26-18-7-5-4-6-8-18/h4-12,14-15H,3,13H2,1-2H3,(H,22,23,24)/t15-/m1/s1
InChIKeyVUUKYDRHMSAHOJ-OAHLLOKOSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9246541
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 19194806
2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19203500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 7920239) is (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCCOc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1.
What is the InChIKey of (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VUUKYDRHMSAHOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-13-25-17-11-9-16(10-12-17)19-14-27-21(22-19)23-20(24)15(2)26-18-7-5-4-6-8-18/h4-12,14-15H,3,13H2,1-2H3,(H,22,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide?
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 382.49 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 7920239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).