4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide

C17H14N2O2S — CID 16651068

IUPAC4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C17H14N2O2S/c1-12-2-6-14(7-3-12)21-15-8-4-13(5-9-15)16(20)19-17-18-10-11-22-17/h2-11H,1H3,(H,18,19,20)
InChIKeyLVDGHWVVZBFPCT-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.50
Rot. Bonds4

About 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide

4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 16651068) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID16651068
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C17H14N2O2S/c1-12-2-6-14(7-3-12)21-15-8-4-13(5-9-15)16(20)19-17-18-10-11-22-17/h2-11H,1H3,(H,18,19,20)
InChIKeyLVDGHWVVZBFPCT-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 762358
N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813731
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361496
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
1-[2-[4-(4-methylphenoxy)phenoxy]acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670197
3-[4-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 11190565

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 16651068) is 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(Oc2ccc(C(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LVDGHWVVZBFPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-12-2-6-14(7-3-12)21-15-8-4-13(5-9-15)16(20)19-17-18-10-11-22-17/h2-11H,1H3,(H,18,19,20).
What are the key properties of 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 310.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16651068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).