N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C15H16Cl2N4OS — CID 134042609

IUPACN-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H16Cl2N4OS/c16-12-2-1-11(13(17)9-12)10-19-14(22)20-4-6-21(7-5-20)15-18-3-8-23-15/h1-3,8-9H,4-7,10H2,(H,19,22)
InChIKeyAAXDKVBIZLJAHP-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.48
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 134042609) has the molecular formula C15H16Cl2N4OS and a molecular weight of 371.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID134042609
Molecular FormulaC15H16Cl2N4OS
Molecular Weight371.29 g/mol
Exact Mass370.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H16Cl2N4OS/c16-12-2-1-11(13(17)9-12)10-19-14(22)20-4-6-21(7-5-20)15-18-3-8-23-15/h1-3,8-9H,4-7,10H2,(H,19,22)
InChIKeyAAXDKVBIZLJAHP-UHFFFAOYSA-N
XLogP3.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47031878
4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 86970008
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 30311436
N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51113317
N-[(2-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60580723
2-[4-[2-(bromomethyl)-5-chlorophenyl]piperazin-1-yl]-1,3-thiazole
CID 107079219
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108791
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084713
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 30297825

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 134042609) is N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is AAXDKVBIZLJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4OS/c16-12-2-1-11(13(17)9-12)10-19-14(22)20-4-6-21(7-5-20)15-18-3-8-23-15/h1-3,8-9H,4-7,10H2,(H,19,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 371.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 134042609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).