N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

C12H12N2O2S — CID 63049252

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cscn1
InChIInChI=1S/C12H12N2O2S/c1-14(12(16)11-7-17-8-13-11)6-9-3-2-4-10(15)5-9/h2-5,7-8,15H,6H2,1H3
InChIKeyQIHWQVMGXWXUJV-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.12
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 63049252) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID63049252
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cscn1
InChIInChI=1S/C12H12N2O2S/c1-14(12(16)11-7-17-8-13-11)6-9-3-2-4-10(15)5-9/h2-5,7-8,15H,6H2,1H3
InChIKeyQIHWQVMGXWXUJV-UHFFFAOYSA-N
XLogP2.12
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 63049252) is N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1cscn1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is QIHWQVMGXWXUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-14(12(16)11-7-17-8-13-11)6-9-3-2-4-10(15)5-9/h2-5,7-8,15H,6H2,1H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).