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

C18H24N4OS — CID 22197615

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCN(C)CC3)n2)cc1C
InChIInChI=1S/C18H24N4OS/c1-13-4-5-15(10-14(13)2)16-12-24-18(19-16)20-17(23)11-22-8-6-21(3)7-9-22/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,20,23)
InChIKeyQEDKYQQPIXDWFW-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.61
Rot. Bonds4

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

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 22197615) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID22197615
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCN(C)CC3)n2)cc1C
InChIInChI=1S/C18H24N4OS/c1-13-4-5-15(10-14(13)2)16-12-24-18(19-16)20-17(23)11-22-8-6-21(3)7-9-22/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,20,23)
InChIKeyQEDKYQQPIXDWFW-UHFFFAOYSA-N
XLogP2.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195094
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22197069
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-ethylmorpholin-4-yl)acetamide
CID 55590905
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 4682616
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 38846610
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119677128
ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17121909
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 22197615) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1ccc(-c2csc(NC(=O)CN3CCN(C)CC3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is QEDKYQQPIXDWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-4-5-15(10-14(13)2)16-12-24-18(19-16)20-17(23)11-22-8-6-21(3)7-9-22/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,20,23).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 22197615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).