N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C15H10BrN3OS — CID 1114484

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccnc1
InChIInChI=1S/C15H10BrN3OS/c16-12-5-3-10(4-6-12)13-9-21-15(18-13)19-14(20)11-2-1-7-17-8-11/h1-9H,(H,18,19,20)
InChIKeyNOEKOUCPUJAYLQ-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.22
Rot. Bonds3

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 1114484) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID1114484
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccnc1
InChIInChI=1S/C15H10BrN3OS/c16-12-5-3-10(4-6-12)13-9-21-15(18-13)19-14(20)11-2-1-7-17-8-11/h1-9H,(H,18,19,20)
InChIKeyNOEKOUCPUJAYLQ-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-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 1114484) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccnc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is NOEKOUCPUJAYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-12-5-3-10(4-6-12)13-9-21-15(18-13)19-14(20)11-2-1-7-17-8-11/h1-9H,(H,18,19,20).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-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-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1114484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).