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

C19H22Cl2N4O3S — CID 118112692

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(O)C(=O)N1CCN(Cc2ncc(C(=O)NCc3ccc(Cl)cc3Cl)s2)CC1
InChIInChI=1S/C19H22Cl2N4O3S/c1-12(26)19(28)25-6-4-24(5-7-25)11-17-22-10-16(29-17)18(27)23-9-13-2-3-14(20)8-15(13)21/h2-3,8,10,12,26H,4-7,9,11H2,1H3,(H,23,27)
InChIKeySMJBZFUVVHDKJH-UHFFFAOYSA-N
MW457.38 g/mol
LogP2.40
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 118112692) has the molecular formula C19H22Cl2N4O3S and a molecular weight of 457.38 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID118112692
Molecular FormulaC19H22Cl2N4O3S
Molecular Weight457.38 g/mol
Exact Mass456.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(O)C(=O)N1CCN(Cc2ncc(C(=O)NCc3ccc(Cl)cc3Cl)s2)CC1
InChIInChI=1S/C19H22Cl2N4O3S/c1-12(26)19(28)25-6-4-24(5-7-25)11-17-22-10-16(29-17)18(27)23-9-13-2-3-14(20)8-15(13)21/h2-3,8,10,12,26H,4-7,9,11H2,1H3,(H,23,27)
InChIKeySMJBZFUVVHDKJH-UHFFFAOYSA-N
XLogP2.40
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(2-chlorophenyl)-N-[(3R,4R)-1-cyano-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 134363670
US9776991, Example 170
CID 118112509
US9776991, Example 208
CID 118112521
US9776991, Example 198
CID 118112543
US9776991, Example 183
CID 118112546
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

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide (CID 118112692) is N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide is CC(O)C(=O)N1CCN(Cc2ncc(C(=O)NCc3ccc(Cl)cc3Cl)s2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SMJBZFUVVHDKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O3S/c1-12(26)19(28)25-6-4-24(5-7-25)11-17-22-10-16(29-17)18(27)23-9-13-2-3-14(20)8-15(13)21/h2-3,8,10,12,26H,4-7,9,11H2,1H3,(H,23,27).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 457.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118112692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).