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

C20H20BrN3OS — CID 53365458

IUPACN-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(Br)cc2)s1
InChIInChI=1S/C20H20BrN3OS/c1-3-15-6-4-5-7-17(15)24-20-23-13(2)18(26-20)19(25)22-12-14-8-10-16(21)11-9-14/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPFVNBUUXBMOTJM-UHFFFAOYSA-N
MW430.37 g/mol
LogP5.45
Rot. Bonds6

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

N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53365458) has the molecular formula C20H20BrN3OS and a molecular weight of 430.37 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53365458
Molecular FormulaC20H20BrN3OS
Molecular Weight430.37 g/mol
Exact Mass429.05
IUPAC NameN-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(Br)cc2)s1
InChIInChI=1S/C20H20BrN3OS/c1-3-15-6-4-5-7-17(15)24-20-23-13(2)18(26-20)19(25)22-12-14-8-10-16(21)11-9-14/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPFVNBUUXBMOTJM-UHFFFAOYSA-N
XLogP5.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.37
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490
N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 11989668
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152829
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-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11989670
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 59729242
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 53365458) is N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(Br)cc2)s1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PFVNBUUXBMOTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3OS/c1-3-15-6-4-5-7-17(15)24-20-23-13(2)18(26-20)19(25)22-12-14-8-10-16(21)11-9-14/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 430.37 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).