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

C18H24N4O2S — CID 30868820

IUPACN-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2nc(-c3cccc(OC)c3)cs2)CC1
InChIInChI=1S/C18H24N4O2S/c1-3-19-18(23)22-9-7-21(8-10-22)12-17-20-16(13-25-17)14-5-4-6-15(11-14)24-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23)
InChIKeyOEHJGXBKTUGLOC-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.67
Rot. Bonds5

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

N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 30868820) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
PubChem CID30868820
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2nc(-c3cccc(OC)c3)cs2)CC1
InChIInChI=1S/C18H24N4O2S/c1-3-19-18(23)22-9-7-21(8-10-22)12-17-20-16(13-25-17)14-5-4-6-15(11-14)24-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23)
InChIKeyOEHJGXBKTUGLOC-UHFFFAOYSA-N
XLogP2.67
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464237
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551018
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463976
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463718
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463720
2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463732
N-[(3,4-dimethoxyphenyl)methyl]-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464059
N-(3-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447625
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (CID 30868820) is N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(Cc2nc(-c3cccc(OC)c3)cs2)CC1.
What is the InChIKey of N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is OEHJGXBKTUGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-19-18(23)22-9-7-21(8-10-22)12-17-20-16(13-25-17)14-5-4-6-15(11-14)24-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30868820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).