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

C17H20N2OS — CID 110645219

IUPACN-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
SMILESCc1ccc(Cc2cnc(CNC(=O)C3CCC3)s2)cc1
InChIInChI=1S/C17H20N2OS/c1-12-5-7-13(8-6-12)9-15-10-18-16(21-15)11-19-17(20)14-3-2-4-14/h5-8,10,14H,2-4,9,11H2,1H3,(H,19,20)
InChIKeyLQUWYTXIQNFHBY-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.46
Rot. Bonds5

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

N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 110645219) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
PubChem CID110645219
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
SMILESCc1ccc(Cc2cnc(CNC(=O)C3CCC3)s2)cc1
InChIInChI=1S/C17H20N2OS/c1-12-5-7-13(8-6-12)9-15-10-18-16(21-15)11-19-17(20)14-3-2-4-14/h5-8,10,14H,2-4,9,11H2,1H3,(H,19,20)
InChIKeyLQUWYTXIQNFHBY-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645371
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645417
(3R)-1-[(4-methylphenyl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 129397090
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-[(6-methylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122263469

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide (CID 110645219) is N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide is Cc1ccc(Cc2cnc(CNC(=O)C3CCC3)s2)cc1.
What is the InChIKey of N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is LQUWYTXIQNFHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-5-7-13(8-6-12)9-15-10-18-16(21-15)11-19-17(20)14-3-2-4-14/h5-8,10,14H,2-4,9,11H2,1H3,(H,19,20).
What are the key properties of N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110645219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).