2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C22H21N7OS — CID 59332047

IUPAC2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C22H21N7OS/c30-21(26-18-13-24-7-6-20(18)28-10-8-23-9-11-28)19-15-31-22(27-19)29-14-17(12-25-29)16-4-2-1-3-5-16/h1-7,12-15,23H,8-11H2,(H,26,30)
InChIKeyOADFKHKNTPZUIN-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.05
Rot. Bonds5

About 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332047) has the molecular formula C22H21N7OS and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59332047
Molecular FormulaC22H21N7OS
Molecular Weight431.53 g/mol
Exact Mass431.15
IUPAC Name2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C22H21N7OS/c30-21(26-18-13-24-7-6-20(18)28-10-8-23-9-11-28)19-15-31-22(27-19)29-14-17(12-25-29)16-4-2-1-3-5-16/h1-7,12-15,23H,8-11H2,(H,26,30)
InChIKeyOADFKHKNTPZUIN-UHFFFAOYSA-N
XLogP3.05
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59332047) is 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OADFKHKNTPZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7OS/c30-21(26-18-13-24-7-6-20(18)28-10-8-23-9-11-28)19-15-31-22(27-19)29-14-17(12-25-29)16-4-2-1-3-5-16/h1-7,12-15,23H,8-11H2,(H,26,30).
What are the key properties of 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).