2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C23H27N5OS — CID 70688175

IUPAC2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1
InChIInChI=1S/C23H27N5OS/c1-27(2)15-17-7-9-18(10-8-17)23-26-20(16-30-23)22(29)25-19-5-3-4-6-21(19)28-13-11-24-12-14-28/h3-10,16,24H,11-15H2,1-2H3,(H,25,29)
InChIKeyLKPXEHJKFNZHQC-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.53
Rot. Bonds6

About 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 70688175) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID70688175
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1
InChIInChI=1S/C23H27N5OS/c1-27(2)15-17-7-9-18(10-8-17)23-26-20(16-30-23)22(29)25-19-5-3-4-6-21(19)28-13-11-24-12-14-28/h3-10,16,24H,11-15H2,1-2H3,(H,25,29)
InChIKeyLKPXEHJKFNZHQC-UHFFFAOYSA-N
XLogP3.53
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzamide
CID 11705688
[3-(3,4-Dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 24793976
N-(4-isopropylphenyl)-1-(1,3-thiazol-4-ylcarbonyl)-3-piperidinamine
CID 24817118
2-{[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino}-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16313215
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
2-Phenyl-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 25094945
N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25095214
2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095216
2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095480
2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095481
2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095482

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 70688175) is 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is CN(C)Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LKPXEHJKFNZHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-27(2)15-17-7-9-18(10-8-17)23-26-20(16-30-23)22(29)25-19-5-3-4-6-21(19)28-13-11-24-12-14-28/h3-10,16,24H,11-15H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70688175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).