N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide

C13H14N2O3S — CID 134315655

IUPACN-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
SMILESCOc1ccc(-c2nc(C)c(NC=O)s2)c(OC)c1
InChIInChI=1S/C13H14N2O3S/c1-8-12(14-7-16)19-13(15-8)10-5-4-9(17-2)6-11(10)18-3/h4-7H,1-3H3,(H,14,16)
InChIKeyGVMJGVATODBSIN-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.70
Rot. Bonds5

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

N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide (PubChem CID 134315655) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
PubChem CID134315655
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
SMILESCOc1ccc(-c2nc(C)c(NC=O)s2)c(OC)c1
InChIInChI=1S/C13H14N2O3S/c1-8-12(14-7-16)19-13(15-8)10-5-4-9(17-2)6-11(10)18-3/h4-7H,1-3H3,(H,14,16)
InChIKeyGVMJGVATODBSIN-UHFFFAOYSA-N
XLogP2.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid
CID 154905260
[2-(2-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887813
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
(2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459581
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde
CID 82295070
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 84608613
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 2345637
2-(2,4-dimethoxyphenyl)-5-nitro-1,3-benzothiazole
CID 23085740

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide (CID 134315655) is N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide is COc1ccc(-c2nc(C)c(NC=O)s2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide?
The InChIKey is GVMJGVATODBSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-12(14-7-16)19-13(15-8)10-5-4-9(17-2)6-11(10)18-3/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide?
N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide has a molecular weight of 278.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide is sourced from PubChem (CID 134315655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).