N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

C16H27N5O2S — CID 22196936

IUPACN,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCCCN1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1
InChIInChI=1S/C16H27N5O2S/c1-5-6-20-7-9-21(10-8-20)11-13(22)18-16-17-12(2)14(24-16)15(23)19(3)4/h5-11H2,1-4H3,(H,17,18,22)
InChIKeyXHLLUSVVLDQOLD-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.12
Rot. Bonds6

About N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 22196936) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID22196936
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC NameN,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCCCN1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1
InChIInChI=1S/C16H27N5O2S/c1-5-6-20-7-9-21(10-8-20)11-13(22)18-16-17-12(2)14(24-16)15(23)19(3)4/h5-11H2,1-4H3,(H,17,18,22)
InChIKeyXHLLUSVVLDQOLD-UHFFFAOYSA-N
XLogP1.12
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 22199719
N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 22199140
5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 110442604
N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 92612705
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 108801599
2-[[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 22194107
2-[[2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 19641741
ethyl 2-[[2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 22195981
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 110451038
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
N,N,4-trimethyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 121049989

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (CID 22196936) is N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is CCCN1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1.
What is the InChIKey of N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is XHLLUSVVLDQOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-5-6-20-7-9-21(10-8-20)11-13(22)18-16-17-12(2)14(24-16)15(23)19(3)4/h5-11H2,1-4H3,(H,17,18,22).
What are the key properties of N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22196936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).