N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C20H16N4OS — CID 113203380

IUPACN-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCc3nc(-c4cccnc4)sc3C2)cc1
InChIInChI=1S/C20H16N4OS/c21-11-13-3-6-16(7-4-13)23-19(25)14-5-8-17-18(10-14)26-20(24-17)15-2-1-9-22-12-15/h1-4,6-7,9,12,14H,5,8,10H2,(H,23,25)
InChIKeyJYKMNYRPCCCCFK-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.82
Rot. Bonds3

About N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 113203380) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID113203380
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCc3nc(-c4cccnc4)sc3C2)cc1
InChIInChI=1S/C20H16N4OS/c21-11-13-3-6-16(7-4-13)23-19(25)14-5-8-17-18(10-14)26-20(24-17)15-2-1-9-22-12-15/h1-4,6-7,9,12,14H,5,8,10H2,(H,23,25)
InChIKeyJYKMNYRPCCCCFK-UHFFFAOYSA-N
XLogP3.82
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 113203380) is N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is N#Cc1ccc(NC(=O)C2CCc3nc(-c4cccnc4)sc3C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is JYKMNYRPCCCCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c21-11-13-3-6-16(7-4-13)23-19(25)14-5-8-17-18(10-14)26-20(24-17)15-2-1-9-22-12-15/h1-4,6-7,9,12,14H,5,8,10H2,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113203380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).