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

C19H19N3O4S — CID 52949328

IUPAC[5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(N)ccc2-c2csc(N)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4S/c1-24-15-6-10(7-16(25-2)18(15)26-3)17(23)13-8-11(20)4-5-12(13)14-9-27-19(21)22-14/h4-9H,20H2,1-3H3,(H2,21,22)
InChIKeyNHQCAHQZEGJJNG-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.23
Rot. Bonds6

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

[5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 52949328) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID52949328
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name[5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(N)ccc2-c2csc(N)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4S/c1-24-15-6-10(7-16(25-2)18(15)26-3)17(23)13-8-11(20)4-5-12(13)14-9-27-19(21)22-14/h4-9H,20H2,1-3H3,(H2,21,22)
InChIKeyNHQCAHQZEGJJNG-UHFFFAOYSA-N
XLogP3.23
TPSA109.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-Amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 20590560
[4-(2-Amino-4-thiazolyl)phenyl](3,4,5-trimethoxyphenyl)methanone
CID 46929639
[2-(4-Fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53340984
(2-(Phenylamino)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanone
CID 53361717
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53364341
(2-(p-Tolylamino)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanone hydrochloride
CID 53364343
4-methoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670187
3,4,5-trimethoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670190
3-methoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670363
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 16304084
[2-(4-Aminophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 25257695

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 52949328) is [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(N)ccc2-c2csc(N)n2)cc(OC)c1OC.
What is the InChIKey of [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is NHQCAHQZEGJJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-15-6-10(7-16(25-2)18(15)26-3)17(23)13-8-11(20)4-5-12(13)14-9-27-19(21)22-14/h4-9H,20H2,1-3H3,(H2,21,22).
What are the key properties of [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 385.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(2-amino-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 52949328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).