N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C16H13N3OS — CID 2824333

IUPACN-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H13N3OS/c20-15(18-9-12-5-2-1-3-6-12)14-11-21-16(19-14)13-7-4-8-17-10-13/h1-8,10-11H,9H2,(H,18,20)
InChIKeyTWOJOXHYLSXFCJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.14
Rot. Bonds4

About N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 2824333) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID2824333
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H13N3OS/c20-15(18-9-12-5-2-1-3-6-12)14-11-21-16(19-14)13-7-4-8-17-10-13/h1-8,10-11H,9H2,(H,18,20)
InChIKeyTWOJOXHYLSXFCJ-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 2824333) is N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is TWOJOXHYLSXFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15(18-9-12-5-2-1-3-6-12)14-11-21-16(19-14)13-7-4-8-17-10-13/h1-8,10-11H,9H2,(H,18,20).
What are the key properties of N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2824333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).