N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide

C21H24Cl2N4O3S — CID 118112546

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cnc(CN2CCN(C(=O)C3CCOC3)CC2)s1
InChIInChI=1S/C21H24Cl2N4O3S/c22-16-2-1-14(17(23)9-16)10-25-20(28)18-11-24-19(31-18)12-26-4-6-27(7-5-26)21(29)15-3-8-30-13-15/h1-2,9,11,15H,3-8,10,12-13H2,(H,25,28)
InChIKeyPSLPIHRQJGNBPI-UHFFFAOYSA-N
MW483.42 g/mol
LogP3.06
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 118112546) has the molecular formula C21H24Cl2N4O3S and a molecular weight of 483.42 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID118112546
Molecular FormulaC21H24Cl2N4O3S
Molecular Weight483.42 g/mol
Exact Mass482.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cnc(CN2CCN(C(=O)C3CCOC3)CC2)s1
InChIInChI=1S/C21H24Cl2N4O3S/c22-16-2-1-14(17(23)9-16)10-25-20(28)18-11-24-19(31-18)12-26-4-6-27(7-5-26)21(29)15-3-8-30-13-15/h1-2,9,11,15H,3-8,10,12-13H2,(H,25,28)
InChIKeyPSLPIHRQJGNBPI-UHFFFAOYSA-N
XLogP3.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

US9776991, Example 170
CID 118112509
US9776991, Example 208
CID 118112521
US9776991, Example 198
CID 118112543
US9776991, Example 195
CID 118112550
US9776991, Example 201
CID 118112552
US9776991, Example 199
CID 118112576
US9776991, Example 191
CID 118112579
US9776991, Example 167
CID 118112585
US9776991, Example 210
CID 118112591
US9776991, Example 169
CID 118112608
US9776991, Example 203
CID 118112610
US9776991, Example 193
CID 118112614

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide (CID 118112546) is N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1cnc(CN2CCN(C(=O)C3CCOC3)CC2)s1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PSLPIHRQJGNBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3S/c22-16-2-1-14(17(23)9-16)10-25-20(28)18-11-24-19(31-18)12-26-4-6-27(7-5-26)21(29)15-3-8-30-13-15/h1-2,9,11,15H,3-8,10,12-13H2,(H,25,28).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 483.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(oxolane-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118112546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).