N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C18H22N4O2S — CID 8547874

IUPACN-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN2CCNC(=O)C2)cs1)c1cccc(C)c1C
InChIInChI=1S/C18H22N4O2S/c1-12-5-4-6-16(13(12)2)22(14(3)23)18-20-15(11-25-18)9-21-8-7-19-17(24)10-21/h4-6,11H,7-10H2,1-3H3,(H,19,24)
InChIKeyARLRSBKOMFTOFE-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.38
Rot. Bonds4

About N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 8547874) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID8547874
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN2CCNC(=O)C2)cs1)c1cccc(C)c1C
InChIInChI=1S/C18H22N4O2S/c1-12-5-4-6-16(13(12)2)22(14(3)23)18-20-15(11-25-18)9-21-8-7-19-17(24)10-21/h4-6,11H,7-10H2,1-3H3,(H,19,24)
InChIKeyARLRSBKOMFTOFE-UHFFFAOYSA-N
XLogP2.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155
N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9351271
N-[4-[(2,6-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24684744
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-amino-3-methylbenzoate
CID 55562461
N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8596103
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl (Z)-2-methylpent-2-enoate
CID 56511208
N-[4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35816369
4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63569024
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
N-[4-[(3-cyanophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55579138
N-[4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16570887
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 5-bromo-2-chlorobenzoate
CID 55315093

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 8547874) is N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CN2CCNC(=O)C2)cs1)c1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ARLRSBKOMFTOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-5-4-6-16(13(12)2)22(14(3)23)18-20-15(11-25-18)9-21-8-7-19-17(24)10-21/h4-6,11H,7-10H2,1-3H3,(H,19,24).
What are the key properties of N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8547874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).