(3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate

C17H13N3O3S2 — CID 34295797

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCc1cc(COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)on1
InChIInChI=1S/C17H13N3O3S2/c1-10-7-12(23-20-10)9-22-16(21)14-8-13-15(24-14)19-17(25-13)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyFTNPVBHQCDGUOF-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.75
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 34295797) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID34295797
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCc1cc(COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)on1
InChIInChI=1S/C17H13N3O3S2/c1-10-7-12(23-20-10)9-22-16(21)14-8-13-15(24-14)19-17(25-13)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyFTNPVBHQCDGUOF-UHFFFAOYSA-N
XLogP4.75
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 42925867
2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 34295762
N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119585103
2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 17489929
(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 9478731
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 55472090
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
CID 18099607
(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 9477490
2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 120600464
[2-(aminomethyl)pyrrolidin-1-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
CID 119634519
(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
CID 18098473
(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 18099994

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate (CID 34295797) is (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate is Cc1cc(COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is FTNPVBHQCDGUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c1-10-7-12(23-20-10)9-22-16(21)14-8-13-15(24-14)19-17(25-13)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 34295797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).