3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide

C15H10ClN3OS — CID 122133830

IUPAC3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nc(-c3ccncc3Cl)cs2)c1
InChIInChI=1S/C15H10ClN3OS/c16-12-7-18-5-4-11(12)13-8-21-15(19-13)10-3-1-2-9(6-10)14(17)20/h1-8H,(H2,17,20)
InChIKeyDOLKIEKDEHGFNU-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.62
Rot. Bonds3

About 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide

3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 122133830) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide
PubChem CID122133830
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nc(-c3ccncc3Cl)cs2)c1
InChIInChI=1S/C15H10ClN3OS/c16-12-7-18-5-4-11(12)13-8-21-15(19-13)10-3-1-2-9(6-10)14(17)20/h1-8H,(H2,17,20)
InChIKeyDOLKIEKDEHGFNU-UHFFFAOYSA-N
XLogP3.62
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide (CID 122133830) is 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide is NC(=O)c1cccc(-c2nc(-c3ccncc3Cl)cs2)c1.
What is the InChIKey of 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DOLKIEKDEHGFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-12-7-18-5-4-11(12)13-8-21-15(19-13)10-3-1-2-9(6-10)14(17)20/h1-8H,(H2,17,20).
What are the key properties of 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide?
3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 315.79 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 122133830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).