N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide

C20H19F3N6OS — CID 122555301

IUPACN-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(c2ccnc(-c3nsc(NC(=O)c4ccc(C(F)(F)F)cc4)n3)c2)CC1
InChIInChI=1S/C20H19F3N6OS/c1-28-8-10-29(11-9-28)15-6-7-24-16(12-15)17-25-19(31-27-17)26-18(30)13-2-4-14(5-3-13)20(21,22)23/h2-7,12H,8-11H2,1H3,(H,25,26,27,30)
InChIKeyQEEMQBMGJNQARS-UHFFFAOYSA-N
MW448.47 g/mol
LogP3.62
Rot. Bonds4

About N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide

N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 122555301) has the molecular formula C20H19F3N6OS and a molecular weight of 448.47 g/mol. Its IUPAC name is N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID122555301
Molecular FormulaC20H19F3N6OS
Molecular Weight448.47 g/mol
Exact Mass448.13
IUPAC NameN-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(c2ccnc(-c3nsc(NC(=O)c4ccc(C(F)(F)F)cc4)n3)c2)CC1
InChIInChI=1S/C20H19F3N6OS/c1-28-8-10-29(11-9-28)15-6-7-24-16(12-15)17-25-19(31-27-17)26-18(30)13-2-4-14(5-3-13)20(21,22)23/h2-7,12H,8-11H2,1H3,(H,25,26,27,30)
InChIKeyQEEMQBMGJNQARS-UHFFFAOYSA-N
XLogP3.62
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 122357061
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302142
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 37442200
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
2-[(2-fluoro-4-pyridinyl)amino]-5-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 59453540
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[7-(trifluoromethyl)quinolin-4-yl]benzamide
CID 164852755
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109205376
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide (CID 122555301) is N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide is CN1CCN(c2ccnc(-c3nsc(NC(=O)c4ccc(C(F)(F)F)cc4)n3)c2)CC1.
What is the InChIKey of N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is QEEMQBMGJNQARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6OS/c1-28-8-10-29(11-9-28)15-6-7-24-16(12-15)17-25-19(31-27-17)26-18(30)13-2-4-14(5-3-13)20(21,22)23/h2-7,12H,8-11H2,1H3,(H,25,26,27,30).
What are the key properties of N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide?
N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 448.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122555301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).