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

C18H18N2O4S2 — CID 42008469

IUPAC3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc(OC)c1OC
InChIInChI=1S/C18H18N2O4S2/c1-10-5-6-15(26-10)12-9-25-18(19-12)20-17(21)11-7-13(22-2)16(24-4)14(8-11)23-3/h5-9H,1-4H3,(H,19,20,21)
InChIKeyMITJTMGYLRPILR-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.46
Rot. Bonds6

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

3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 42008469) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID42008469
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc(OC)c1OC
InChIInChI=1S/C18H18N2O4S2/c1-10-5-6-15(26-10)12-9-25-18(19-12)20-17(21)11-7-13(22-2)16(24-4)14(8-11)23-3/h5-9H,1-4H3,(H,19,20,21)
InChIKeyMITJTMGYLRPILR-UHFFFAOYSA-N
XLogP4.46
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42009828
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
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4069940
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134003036
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 112795463
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 42008469) is 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide is COc1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MITJTMGYLRPILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-10-5-6-15(26-10)12-9-25-18(19-12)20-17(21)11-7-13(22-2)16(24-4)14(8-11)23-3/h5-9H,1-4H3,(H,19,20,21).
What are the key properties of 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42008469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).