N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide

C15H17ClN2O2S — CID 46003169

IUPACN-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(COc2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN2O2S/c1-3-10(2)17-15(19)12-9-21-14(18-12)8-20-13-7-5-4-6-11(13)16/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)
InChIKeyFQEPTQJPYVGASG-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.90
Rot. Bonds6

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

N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46003169) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46003169
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(COc2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN2O2S/c1-3-10(2)17-15(19)12-9-21-14(18-12)8-20-13-7-5-4-6-11(13)16/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)
InChIKeyFQEPTQJPYVGASG-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712817
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
N-[(2S)-butan-2-yl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158607
N-[(2S)-butan-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158727
N-[(2S)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158655
N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158654
2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 93158742
N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158586
2-[(4-benzylpiperazin-1-yl)methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 46056114
N-phenyl-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003146
2-[(2,3-dimethylphenoxy)methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46003366
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 46003169) is N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)c1csc(COc2ccccc2Cl)n1.
What is the InChIKey of N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FQEPTQJPYVGASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-10(2)17-15(19)12-9-21-14(18-12)8-20-13-7-5-4-6-11(13)16/h4-7,9-10H,3,8H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46003169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).