6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile

C17H10N4S2 — CID 54768671

IUPAC6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1cnc(N)c(-c2nc3ccccc3s2)c1-c1cccs1
InChIInChI=1S/C17H10N4S2/c18-8-10-9-20-16(19)15(14(10)13-6-3-7-22-13)17-21-11-4-1-2-5-12(11)23-17/h1-7,9H,(H2,19,20)
InChIKeyZXYRCFNTJZWMBO-UHFFFAOYSA-N
MW334.43 g/mol
LogP4.54
Rot. Bonds2

About 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile

6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 54768671) has the molecular formula C17H10N4S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID54768671
Molecular FormulaC17H10N4S2
Molecular Weight334.43 g/mol
Exact Mass334.03
IUPAC Name6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1cnc(N)c(-c2nc3ccccc3s2)c1-c1cccs1
InChIInChI=1S/C17H10N4S2/c18-8-10-9-20-16(19)15(14(10)13-6-3-7-22-13)17-21-11-4-1-2-5-12(11)23-17/h1-7,9H,(H2,19,20)
InChIKeyZXYRCFNTJZWMBO-UHFFFAOYSA-N
XLogP4.54
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile (CID 54768671) is 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1cnc(N)c(-c2nc3ccccc3s2)c1-c1cccs1.
What is the InChIKey of 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is ZXYRCFNTJZWMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4S2/c18-8-10-9-20-16(19)15(14(10)13-6-3-7-22-13)17-21-11-4-1-2-5-12(11)23-17/h1-7,9H,(H2,19,20).
What are the key properties of 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile?
6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 334.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 54768671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).