N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide

C16H10N4OS2 — CID 4182742

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc2ncsc2c1
InChIInChI=1S/C16H10N4OS2/c21-15(10-4-5-12-14(7-10)23-9-18-12)20-16-19-13(8-22-16)11-3-1-2-6-17-11/h1-9H,(H,19,20,21)
InChIKeyPRUFBRAWRXTDIR-UHFFFAOYSA-N
MW338.42 g/mol
LogP4.07
Rot. Bonds3

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 4182742) has the molecular formula C16H10N4OS2 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID4182742
Molecular FormulaC16H10N4OS2
Molecular Weight338.42 g/mol
Exact Mass338.03
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc2ncsc2c1
InChIInChI=1S/C16H10N4OS2/c21-15(10-4-5-12-14(7-10)23-9-18-12)20-16-19-13(8-22-16)11-3-1-2-6-17-11/h1-9H,(H,19,20,21)
InChIKeyPRUFBRAWRXTDIR-UHFFFAOYSA-N
XLogP4.07
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide (CID 4182742) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2ncsc2c1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is PRUFBRAWRXTDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS2/c21-15(10-4-5-12-14(7-10)23-9-18-12)20-16-19-13(8-22-16)11-3-1-2-6-17-11/h1-9H,(H,19,20,21).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4182742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).