4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide

C22H26N6OS — CID 53312140

IUPAC4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H26N6OS/c1-15(2)17-4-5-18(26-22(29)21-16(3)25-14-30-21)19(12-17)27-8-10-28(11-9-27)20-13-23-6-7-24-20/h4-7,12-15H,8-11H2,1-3H3,(H,26,29)
InChIKeyNJGLGYYRAPWMSC-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.94
Rot. Bonds5

About 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 53312140) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID53312140
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H26N6OS/c1-15(2)17-4-5-18(26-22(29)21-16(3)25-14-30-21)19(12-17)27-8-10-28(11-9-27)20-13-23-6-7-24-20/h4-7,12-15H,8-11H2,1-3H3,(H,26,29)
InChIKeyNJGLGYYRAPWMSC-UHFFFAOYSA-N
XLogP3.94
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 53312140) is 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1.
What is the InChIKey of 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NJGLGYYRAPWMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-15(2)17-4-5-18(26-22(29)21-16(3)25-14-30-21)19(12-17)27-8-10-28(11-9-27)20-13-23-6-7-24-20/h4-7,12-15H,8-11H2,1-3H3,(H,26,29).
What are the key properties of 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53312140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).