3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide

C17H16N2O2S2 — CID 42009828

IUPAC3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)ccc1C
InChIInChI=1S/C17H16N2O2S2/c1-10-4-6-12(8-14(10)21-3)16(20)19-17-18-13(9-22-17)15-7-5-11(2)23-15/h4-9H,1-3H3,(H,18,19,20)
InChIKeyJAXSGSXFMZJLBT-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.75
Rot. Bonds4

About 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide

3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 42009828) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID42009828
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)ccc1C
InChIInChI=1S/C17H16N2O2S2/c1-10-4-6-12(8-14(10)21-3)16(20)19-17-18-13(9-22-17)15-7-5-11(2)23-15/h4-9H,1-3H3,(H,18,19,20)
InChIKeyJAXSGSXFMZJLBT-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24597199
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
3-methoxy-4-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18229856
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134003036
N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-4-hydroxy-3-methoxybenzamide
CID 162121520
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 112795463
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 42009828) is 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide is COc1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JAXSGSXFMZJLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-10-4-6-12(8-14(10)21-3)16(20)19-17-18-13(9-22-17)15-7-5-11(2)23-15/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42009828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).