2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

C15H18N4OS — CID 143961926

IUPAC2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
SMILESCN1CCN(c2nc(-c3ccccc3C(N)=O)cs2)CC1
InChIInChI=1S/C15H18N4OS/c1-18-6-8-19(9-7-18)15-17-13(10-21-15)11-4-2-3-5-12(11)14(16)20/h2-5,10H,6-9H2,1H3,(H2,16,20)
InChIKeyDZVBMMHCTZHOTQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide (PubChem CID 143961926) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
PubChem CID143961926
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
SMILESCN1CCN(c2nc(-c3ccccc3C(N)=O)cs2)CC1
InChIInChI=1S/C15H18N4OS/c1-18-6-8-19(9-7-18)15-17-13(10-21-15)11-4-2-3-5-12(11)14(16)20/h2-5,10H,6-9H2,1H3,(H2,16,20)
InChIKeyDZVBMMHCTZHOTQ-UHFFFAOYSA-N
XLogP1.66
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133371880
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68778558
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758636
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 15984510
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762
1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 123534585
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62757081
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide (CID 143961926) is 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide is CN1CCN(c2nc(-c3ccccc3C(N)=O)cs2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide?
The InChIKey is DZVBMMHCTZHOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-18-6-8-19(9-7-18)15-17-13(10-21-15)11-4-2-3-5-12(11)14(16)20/h2-5,10H,6-9H2,1H3,(H2,16,20).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide?
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide has a molecular weight of 302.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 143961926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).