N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide

C22H33N5OS — CID 16674175

IUPACN-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1cccc(Nc2nc(CC(=O)N(CCN(C)C)C3CCN(C)CC3)cs2)c1
InChIInChI=1S/C22H33N5OS/c1-17-6-5-7-18(14-17)23-22-24-19(16-29-22)15-21(28)27(13-12-25(2)3)20-8-10-26(4)11-9-20/h5-7,14,16,20H,8-13,15H2,1-4H3,(H,23,24)
InChIKeyVQMMYQVHNNYAJJ-UHFFFAOYSA-N
MW415.61 g/mol
LogP3.22
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide

N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 16674175) has the molecular formula C22H33N5OS and a molecular weight of 415.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID16674175
Molecular FormulaC22H33N5OS
Molecular Weight415.61 g/mol
Exact Mass415.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1cccc(Nc2nc(CC(=O)N(CCN(C)C)C3CCN(C)CC3)cs2)c1
InChIInChI=1S/C22H33N5OS/c1-17-6-5-7-18(14-17)23-22-24-19(16-29-22)15-21(28)27(13-12-25(2)3)20-8-10-26(4)11-9-20/h5-7,14,16,20H,8-13,15H2,1-4H3,(H,23,24)
InChIKeyVQMMYQVHNNYAJJ-UHFFFAOYSA-N
XLogP3.22
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671646
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46966961
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791
methyl 1-[2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 41158688
1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781
ethyl 4-[2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 27377984
2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid
CID 113297957
3-(dimethylamino)-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-1-carboxamide;formic acid
CID 154908373
4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 10647870
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
CID 30941985
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
CID 30942110

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide (CID 16674175) is N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide is Cc1cccc(Nc2nc(CC(=O)N(CCN(C)C)C3CCN(C)CC3)cs2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is VQMMYQVHNNYAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5OS/c1-17-6-5-7-18(14-17)23-22-24-19(16-29-22)15-21(28)27(13-12-25(2)3)20-8-10-26(4)11-9-20/h5-7,14,16,20H,8-13,15H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide?
N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 415.61 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 16674175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).