2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C24H27N3O3S — CID 93307136

IUPAC2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2csc(N(CC(=O)NC[C@H]3CCCO3)c3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H27N3O3S/c1-17-5-3-6-19(13-17)27(15-23(28)25-14-21-7-4-12-30-21)24-26-22(16-31-24)18-8-10-20(29-2)11-9-18/h3,5-6,8-11,13,16,21H,4,7,12,14-15H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyMCTMYFWKVGBQKC-OAQYLSRUSA-N
MW437.57 g/mol
LogP4.56
Rot. Bonds8

About 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 93307136) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID93307136
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2csc(N(CC(=O)NC[C@H]3CCCO3)c3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H27N3O3S/c1-17-5-3-6-19(13-17)27(15-23(28)25-14-21-7-4-12-30-21)24-26-22(16-31-24)18-8-10-20(29-2)11-9-18/h3,5-6,8-11,13,16,21H,4,7,12,14-15H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyMCTMYFWKVGBQKC-OAQYLSRUSA-N
XLogP4.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93307453
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144112
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1172683
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 172658899
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3121372
2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9123141
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1172713

Frequently Asked Questions

What is the IUPAC name of 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 93307136) is 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COc1ccc(-c2csc(N(CC(=O)NC[C@H]3CCCO3)c3cccc(C)c3)n2)cc1.
What is the InChIKey of 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is MCTMYFWKVGBQKC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17-5-3-6-19(13-17)27(15-23(28)25-14-21-7-4-12-30-21)24-26-22(16-31-24)18-8-10-20(29-2)11-9-18/h3,5-6,8-11,13,16,21H,4,7,12,14-15H2,1-2H3,(H,25,28)/t21-/m1/s1.
What are the key properties of 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93307136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).