N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C15H10BrN3OS — CID 1483711

IUPACN-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C15H10BrN3OS/c16-11-1-3-12(4-2-11)18-14(20)13-9-21-15(19-13)10-5-7-17-8-6-10/h1-9H,(H,18,20)
InChIKeyJSGPUBGVWVFUIR-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.22
Rot. Bonds3

About N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 1483711) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID1483711
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC NameN-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C15H10BrN3OS/c16-11-1-3-12(4-2-11)18-14(20)13-9-21-15(19-13)10-5-7-17-8-6-10/h1-9H,(H,18,20)
InChIKeyJSGPUBGVWVFUIR-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 1483711) is N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JSGPUBGVWVFUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-11-1-3-12(4-2-11)18-14(20)13-9-21-15(19-13)10-5-7-17-8-6-10/h1-9H,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 360.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1483711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).