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

C20H21N5OS — CID 53200928

IUPAC2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C20H21N5OS/c26-19(22-14-16-6-4-5-9-21-16)18-15-27-20(23-18)25-12-10-24(11-13-25)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,22,26)
InChIKeyUOMHUTVCXJIIFG-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.79
Rot. Bonds5

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

2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 53200928) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID53200928
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C20H21N5OS/c26-19(22-14-16-6-4-5-9-21-16)18-15-27-20(23-18)25-12-10-24(11-13-25)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,22,26)
InChIKeyUOMHUTVCXJIIFG-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161069
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212690
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 53160987
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200939

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 53200928) is 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccn1)c1csc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UOMHUTVCXJIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-19(22-14-16-6-4-5-9-21-16)18-15-27-20(23-18)25-12-10-24(11-13-25)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,22,26).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53200928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).