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

C18H18N2O5S — CID 4069940

IUPAC3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc(OC)c1OC
InChIInChI=1S/C18H18N2O5S/c1-10-5-6-13(25-10)12-9-26-18(19-12)20-17(21)11-7-14(22-2)16(24-4)15(8-11)23-3/h5-9H,1-4H3,(H,19,20,21)
InChIKeyYFCOTTXHKJSHQY-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.99
Rot. Bonds6

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

3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4069940) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID4069940
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc(OC)c1OC
InChIInChI=1S/C18H18N2O5S/c1-10-5-6-13(25-10)12-9-26-18(19-12)20-17(21)11-7-14(22-2)16(24-4)15(8-11)23-3/h5-9H,1-4H3,(H,19,20,21)
InChIKeyYFCOTTXHKJSHQY-UHFFFAOYSA-N
XLogP3.99
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
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3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
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3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
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CID 1150730
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
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2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
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4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317
4-chloro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 9094660
4-(azepan-1-ylsulfonyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide (CID 4069940) is 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide is COc1cc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YFCOTTXHKJSHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-10-5-6-13(25-10)12-9-26-18(19-12)20-17(21)11-7-14(22-2)16(24-4)15(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-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide?
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 374.42 g/mol, XLogP of 3.99, 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-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4069940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).