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

C24H31N7OS — CID 53312229

IUPAC2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1
InChIInChI=1S/C24H31N7OS/c1-16(2)18-6-7-19(28-23(32)22-17(3)27-24(33-22)29(4)5)20(14-18)30-10-12-31(13-11-30)21-15-25-8-9-26-21/h6-9,14-16H,10-13H2,1-5H3,(H,28,32)
InChIKeyORENLSKLCUDTQE-UHFFFAOYSA-N
MW465.63 g/mol
LogP4.01
Rot. Bonds6

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

2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 53312229) has the molecular formula C24H31N7OS and a molecular weight of 465.63 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID53312229
Molecular FormulaC24H31N7OS
Molecular Weight465.63 g/mol
Exact Mass465.23
IUPAC Name2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1
InChIInChI=1S/C24H31N7OS/c1-16(2)18-6-7-19(28-23(32)22-17(3)27-24(33-22)29(4)5)20(14-18)30-10-12-31(13-11-30)21-15-25-8-9-26-21/h6-9,14-16H,10-13H2,1-5H3,(H,28,32)
InChIKeyORENLSKLCUDTQE-UHFFFAOYSA-N
XLogP4.01
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.63
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53312062
2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53311473
N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
CID 53311730
2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53312230
5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;6-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-phenyl-4-[5-propan-2-yl-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxamide
CID 161088509
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide
CID 170668063
2-ethyl-3,6-difluoro-N-[2-[4-(4-methylpyrazin-4-ium-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]benzamide
CID 123205799
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide
CID 18168283
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 53312229) is 2-(dimethylamino)-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 2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(N(C)C)sc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ORENLSKLCUDTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OS/c1-16(2)18-6-7-19(28-23(32)22-17(3)27-24(33-22)29(4)5)20(14-18)30-10-12-31(13-11-30)21-15-25-8-9-26-21/h6-9,14-16H,10-13H2,1-5H3,(H,28,32).
What are the key properties of 2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
2-(dimethylamino)-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 465.63 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-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 53312229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).