N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide

C17H12N4OS2 — CID 122162281

IUPACN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1nccnc1-c1ccsc1)c1nc2ccccc2s1
InChIInChI=1S/C17H12N4OS2/c22-16(17-21-12-3-1-2-4-14(12)24-17)20-9-13-15(19-7-6-18-13)11-5-8-23-10-11/h1-8,10H,9H2,(H,20,22)
InChIKeyAJZMTGRQPNXOAZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.74
Rot. Bonds4

About N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide

N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 122162281) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID122162281
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC NameN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1nccnc1-c1ccsc1)c1nc2ccccc2s1
InChIInChI=1S/C17H12N4OS2/c22-16(17-21-12-3-1-2-4-14(12)24-17)20-9-13-15(19-7-6-18-13)11-5-8-23-10-11/h1-8,10H,9H2,(H,20,22)
InChIKeyAJZMTGRQPNXOAZ-UHFFFAOYSA-N
XLogP3.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 121019236
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276965
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 90496484
N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 30370261
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122276862
3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276832

Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide (CID 122162281) is N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide is O=C(NCc1nccnc1-c1ccsc1)c1nc2ccccc2s1.
What is the InChIKey of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is AJZMTGRQPNXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c22-16(17-21-12-3-1-2-4-14(12)24-17)20-9-13-15(19-7-6-18-13)11-5-8-23-10-11/h1-8,10H,9H2,(H,20,22).
What are the key properties of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 122162281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).