2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C23H27N3OS — CID 2240008

IUPAC2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCc1ccc(NCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C23H27N3OS/c1-3-4-5-18-10-12-20(13-11-18)24-16-22(27)26-23-25-15-21(28-23)14-19-8-6-17(2)7-9-19/h6-13,15,24H,3-5,14,16H2,1-2H3,(H,25,26,27)
InChIKeyXAMDEDQIZDTDBC-UHFFFAOYSA-N
MW393.56 g/mol
LogP5.44
Rot. Bonds9

About 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 2240008) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID2240008
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCc1ccc(NCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C23H27N3OS/c1-3-4-5-18-10-12-20(13-11-18)24-16-22(27)26-23-25-15-21(28-23)14-19-8-6-17(2)7-9-19/h6-13,15,24H,3-5,14,16H2,1-2H3,(H,25,26,27)
InChIKeyXAMDEDQIZDTDBC-UHFFFAOYSA-N
XLogP5.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 18827867
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylanilino)acetamide
CID 7454424
2-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18827616
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
CID 1187810
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
CID 51111804
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31484325
4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 5196825
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 2239853

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 2240008) is 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is CCCCc1ccc(NCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1.
What is the InChIKey of 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XAMDEDQIZDTDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-3-4-5-18-10-12-20(13-11-18)24-16-22(27)26-23-25-15-21(28-23)14-19-8-6-17(2)7-9-19/h6-13,15,24H,3-5,14,16H2,1-2H3,(H,25,26,27).
What are the key properties of 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 393.56 g/mol, XLogP of 5.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2240008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).