[4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

C19H18N2O4S — CID 46929639

IUPAC[4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3csc(N)n3)cc2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-8-13(9-16(24-2)18(15)25-3)17(22)12-6-4-11(5-7-12)14-10-26-19(20)21-14/h4-10H,1-3H3,(H2,20,21)
InChIKeyIZLLLYPMLCTBIZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.65
Rot. Bonds6

About [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

[4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 46929639) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID46929639
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name[4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3csc(N)n3)cc2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-8-13(9-16(24-2)18(15)25-3)17(22)12-6-4-11(5-7-12)14-10-26-19(20)21-14/h4-10H,1-3H3,(H2,20,21)
InChIKeyIZLLLYPMLCTBIZ-UHFFFAOYSA-N
XLogP3.65
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 46929639) is [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(-c3csc(N)n3)cc2)cc(OC)c1OC.
What is the InChIKey of [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is IZLLLYPMLCTBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-15-8-13(9-16(24-2)18(15)25-3)17(22)12-6-4-11(5-7-12)14-10-26-19(20)21-14/h4-10H,1-3H3,(H2,20,21).
What are the key properties of [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 370.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 46929639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).