2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide

C19H19N5OS — CID 133371880

IUPAC2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H19N5OS/c20-17(25)15-7-4-8-21-18(15)23-9-11-24(12-10-23)19-22-16(13-26-19)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,25)
InChIKeyPJRFODPQUDOGIE-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133371880) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133371880
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H19N5OS/c20-17(25)15-7-4-8-21-18(15)23-9-11-24(12-10-23)19-22-16(13-26-19)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,25)
InChIKeyPJRFODPQUDOGIE-UHFFFAOYSA-N
XLogP2.63
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 143961926
4-(4-phenyl-1,3-thiazol-2-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 68779561
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
CID 163418785
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide (CID 133371880) is 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is PJRFODPQUDOGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c20-17(25)15-7-4-8-21-18(15)23-9-11-24(12-10-23)19-22-16(13-26-19)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,25).
What are the key properties of 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133371880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).