2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide

C21H23N3OS — CID 30940399

IUPAC2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3OS/c1-2-3-7-16-10-12-18(13-11-16)22-20(25)14-19-15-26-21(24-19)23-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,22,25)(H,23,24)
InChIKeyNUGOJPBGWGATLF-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.41
Rot. Bonds8

About 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide

2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide (PubChem CID 30940399) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
PubChem CID30940399
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3OS/c1-2-3-7-16-10-12-18(13-11-16)22-20(25)14-19-15-26-21(24-19)23-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,22,25)(H,23,24)
InChIKeyNUGOJPBGWGATLF-UHFFFAOYSA-N
XLogP5.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 27377773
ethyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 30940427
4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
2-(2-anilino-1,3-thiazol-4-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27377769
4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine
CID 58791246
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
2-(2-anilino-1,3-thiazol-4-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 30940480
ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
CID 80574423
N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
CID 110178545
N-[4-[3-(4-butylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208663

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide (CID 30940399) is 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide?
The InChIKey is NUGOJPBGWGATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-2-3-7-16-10-12-18(13-11-16)22-20(25)14-19-15-26-21(24-19)23-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide?
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide has a molecular weight of 365.50 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 30940399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).