2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide

C15H12N4OS3 — CID 4788896

IUPAC2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(NC1=NCCS1)c1cc2nc(Nc3ccccc3)sc2s1
InChIInChI=1S/C15H12N4OS3/c20-12(19-14-16-6-7-21-14)11-8-10-13(22-11)23-15(18-10)17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)(H,16,19,20)
InChIKeyXNXLVAMWTOUWJM-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.93
Rot. Bonds3

About 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide

2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 4788896) has the molecular formula C15H12N4OS3 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID4788896
Molecular FormulaC15H12N4OS3
Molecular Weight360.49 g/mol
Exact Mass360.02
IUPAC Name2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(NC1=NCCS1)c1cc2nc(Nc3ccccc3)sc2s1
InChIInChI=1S/C15H12N4OS3/c20-12(19-14-16-6-7-21-14)11-8-10-13(22-11)23-15(18-10)17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)(H,16,19,20)
InChIKeyXNXLVAMWTOUWJM-UHFFFAOYSA-N
XLogP3.93
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide (CID 4788896) is 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide is O=C(NC1=NCCS1)c1cc2nc(Nc3ccccc3)sc2s1.
What is the InChIKey of 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is XNXLVAMWTOUWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS3/c20-12(19-14-16-6-7-21-14)11-8-10-13(22-11)23-15(18-10)17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)(H,16,19,20).
What are the key properties of 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide?
2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 4788896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).