(2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C17H15NO4S2 — CID 25257692

IUPAC(2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3cccs3)n2)cc(OC)c1OC
InChIInChI=1S/C17H15NO4S2/c1-20-12-7-10(8-13(21-2)16(12)22-3)15(19)11-9-24-17(18-11)14-5-4-6-23-14/h4-9H,1-3H3
InChIKeyGMFZHRIKXBZXPE-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.13
Rot. Bonds6

About (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25257692) has the molecular formula C17H15NO4S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25257692
Molecular FormulaC17H15NO4S2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC Name(2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3cccs3)n2)cc(OC)c1OC
InChIInChI=1S/C17H15NO4S2/c1-20-12-7-10(8-13(21-2)16(12)22-3)15(19)11-9-24-17(18-11)14-5-4-6-23-14/h4-9H,1-3H3
InChIKeyGMFZHRIKXBZXPE-UHFFFAOYSA-N
XLogP4.13
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 25257692) is (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(-c3cccs3)n2)cc(OC)c1OC.
What is the InChIKey of (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GMFZHRIKXBZXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S2/c1-20-12-7-10(8-13(21-2)16(12)22-3)15(19)11-9-24-17(18-11)14-5-4-6-23-14/h4-9H,1-3H3.
What are the key properties of (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 361.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25257692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).