2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide

C19H18N2O2S2 — CID 24529648

IUPAC2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCSc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N2O2S2/c1-13-3-7-15(8-4-13)23-11-18-21-17(12-25-18)19(22)20-14-5-9-16(24-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyKKWNNQMUKRSSIA-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.00
Rot. Bonds6

About 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide

2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24529648) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24529648
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC Name2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCSc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N2O2S2/c1-13-3-7-15(8-4-13)23-11-18-21-17(12-25-18)19(22)20-14-5-9-16(24-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyKKWNNQMUKRSSIA-UHFFFAOYSA-N
XLogP5.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 46647466
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
[2-(4-chloroanilino)-2-oxoethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 46648785
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39696626
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
2-[(4-fluorophenoxy)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672806
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672336
2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672202
2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 3745790

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (CID 24529648) is 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is CSc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KKWNNQMUKRSSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-13-3-7-15(8-4-13)23-11-18-21-17(12-25-18)19(22)20-14-5-9-16(24-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24529648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).