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

C18H22N2OS — CID 110645371

IUPACN-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
SMILESCc1ccc(Cc2sc(CNC(=O)C3CCC3)nc2C)cc1
InChIInChI=1S/C18H22N2OS/c1-12-6-8-14(9-7-12)10-16-13(2)20-17(22-16)11-19-18(21)15-4-3-5-15/h6-9,15H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyLUECOEAVDIAZBY-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.77
Rot. Bonds5

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

N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 110645371) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
PubChem CID110645371
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
SMILESCc1ccc(Cc2sc(CNC(=O)C3CCC3)nc2C)cc1
InChIInChI=1S/C18H22N2OS/c1-12-6-8-14(9-7-12)10-16-13(2)20-17(22-16)11-19-18(21)15-4-3-5-15/h6-9,15H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyLUECOEAVDIAZBY-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645417
N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645219
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110645386
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 110645408
2-[(cyclooctanecarbonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65019067
1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895685
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 86849733
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanecarboxamide
CID 121123450

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide (CID 110645371) is N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide is Cc1ccc(Cc2sc(CNC(=O)C3CCC3)nc2C)cc1.
What is the InChIKey of N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is LUECOEAVDIAZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-12-6-8-14(9-7-12)10-16-13(2)20-17(22-16)11-19-18(21)15-4-3-5-15/h6-9,15H,3-5,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide?
N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110645371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).