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

C15H16BrN3OS — CID 990823

IUPAC1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C15H16BrN3OS/c16-12-3-1-10(2-4-12)13-9-21-15(18-13)19-7-5-11(6-8-19)14(17)20/h1-4,9,11H,5-8H2,(H2,17,20)
InChIKeyYWCKNSAYJDPHQO-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.27
Rot. Bonds3

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

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 990823) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID990823
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C15H16BrN3OS/c16-12-3-1-10(2-4-12)13-9-21-15(18-13)19-7-5-11(6-8-19)14(17)20/h1-4,9,11H,5-8H2,(H2,17,20)
InChIKeyYWCKNSAYJDPHQO-UHFFFAOYSA-N
XLogP3.27
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 990823) is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1.
What is the InChIKey of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is YWCKNSAYJDPHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c16-12-3-1-10(2-4-12)13-9-21-15(18-13)19-7-5-11(6-8-19)14(17)20/h1-4,9,11H,5-8H2,(H2,17,20).
What are the key properties of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 366.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 990823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).