2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide

C20H28N2O2S — CID 84556750

IUPAC2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)NC(C)(C)CC(C)(C)C)cs2)cc1
InChIInChI=1S/C20H28N2O2S/c1-19(2,3)13-20(4,5)22-18(23)16-12-25-17(21-16)11-14-7-9-15(24-6)10-8-14/h7-10,12H,11,13H2,1-6H3,(H,22,23)
InChIKeyNOLOCSDMBNHVPF-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.69
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide

2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 84556750) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID84556750
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)NC(C)(C)CC(C)(C)C)cs2)cc1
InChIInChI=1S/C20H28N2O2S/c1-19(2,3)13-20(4,5)22-18(23)16-12-25-17(21-16)11-14-7-9-15(24-6)10-8-14/h7-10,12H,11,13H2,1-6H3,(H,22,23)
InChIKeyNOLOCSDMBNHVPF-UHFFFAOYSA-N
XLogP4.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554690
2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616584
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84556753
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoic acid
CID 84556759
N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554668
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 75395541
N-(2-hydroxy-5-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554707
1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089349
methyl 2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 53407511
methyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 78918624
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide (CID 84556750) is 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide is COc1ccc(Cc2nc(C(=O)NC(C)(C)CC(C)(C)C)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NOLOCSDMBNHVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-19(2,3)13-20(4,5)22-18(23)16-12-25-17(21-16)11-14-7-9-15(24-6)10-8-14/h7-10,12H,11,13H2,1-6H3,(H,22,23).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide?
2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84556750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).