N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide

C17H15N3OS — CID 7119148

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccccc1
InChIInChI=1S/C17H15N3OS/c21-16(13-5-2-1-3-6-13)19-10-8-15-12-22-17(20-15)14-7-4-9-18-11-14/h1-7,9,11-12H,8,10H2,(H,19,21)
InChIKeySXZDIMQCNHXDIP-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 7119148) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID7119148
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccccc1
InChIInChI=1S/C17H15N3OS/c21-16(13-5-2-1-3-6-13)19-10-8-15-12-22-17(20-15)14-7-4-9-18-11-14/h1-7,9,11-12H,8,10H2,(H,19,21)
InChIKeySXZDIMQCNHXDIP-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 7119148) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1csc(-c2cccnc2)n1)c1ccccc1.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is SXZDIMQCNHXDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(13-5-2-1-3-6-13)19-10-8-15-12-22-17(20-15)14-7-4-9-18-11-14/h1-7,9,11-12H,8,10H2,(H,19,21).
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 309.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 7119148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).