4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide

C22H24N4OS — CID 167931324

IUPAC4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)N(Cc3cscn3)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H24N4OS/c1-24-11-13-25(14-12-24)20-9-7-18(8-10-20)22(27)26(15-19-16-28-17-23-19)21-5-3-2-4-6-21/h2-10,16-17H,11-15H2,1H3
InChIKeyPPSNVDROZMZLBY-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.74
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide

4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 167931324) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID167931324
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)N(Cc3cscn3)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H24N4OS/c1-24-11-13-25(14-12-24)20-9-7-18(8-10-20)22(27)26(15-19-16-28-17-23-19)21-5-3-2-4-6-21/h2-10,16-17H,11-15H2,1H3
InChIKeyPPSNVDROZMZLBY-UHFFFAOYSA-N
XLogP3.74
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 94182259
N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 155102286
N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide
CID 141124736
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide
CID 77082553
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
CID 113177424
methyl 6-[[N-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-4-(4-methylpiperazin-1-yl)anilino]methyl]pyridine-3-carboxylate
CID 154989686
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821
benzyl-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamic acid
CID 70654869
N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186597

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 167931324) is 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide is CN1CCN(c2ccc(C(=O)N(Cc3cscn3)c3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is PPSNVDROZMZLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-24-11-13-25(14-12-24)20-9-7-18(8-10-20)22(27)26(15-19-16-28-17-23-19)21-5-3-2-4-6-21/h2-10,16-17H,11-15H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 392.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 167931324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).