2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide

C23H27N3O2S — CID 53365490

IUPAC2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(OC(C)C)cc2)s1
InChIInChI=1S/C23H27N3O2S/c1-5-18-8-6-7-9-20(18)26-23-25-16(4)21(29-23)22(27)24-14-17-10-12-19(13-11-17)28-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyCRKBWCKLLIVOHR-UHFFFAOYSA-N
MW409.56 g/mol
LogP5.47
Rot. Bonds8

About 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide

2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 53365490) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID53365490
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(OC(C)C)cc2)s1
InChIInChI=1S/C23H27N3O2S/c1-5-18-8-6-7-9-20(18)26-23-25-16(4)21(29-23)22(27)24-14-17-10-12-19(13-11-17)28-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyCRKBWCKLLIVOHR-UHFFFAOYSA-N
XLogP5.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 11989668
N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845488
2-(2-ethylanilino)-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845466
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152829
2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11989670
2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 59729242
2-[(5-chloro-2-pyridinyl)amino]-N-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365271
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 53365490) is 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide is CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(OC(C)C)cc2)s1.
What is the InChIKey of 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CRKBWCKLLIVOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-5-18-8-6-7-9-20(18)26-23-25-16(4)21(29-23)22(27)24-14-17-10-12-19(13-11-17)28-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).