4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide

C19H27N5O2S2 — CID 166185088

IUPAC4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)CC1
InChIInChI=1S/C19H27N5O2S2/c1-4-22(5-2)19(26)24-10-8-23(9-11-24)18(25)20-12-15-6-7-17(28-15)16-13-27-14(3)21-16/h6-7,13H,4-5,8-12H2,1-3H3,(H,20,25)
InChIKeyDNDREQYSECWRFT-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.47
Rot. Bonds5

About 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide (PubChem CID 166185088) has the molecular formula C19H27N5O2S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide
PubChem CID166185088
Molecular FormulaC19H27N5O2S2
Molecular Weight421.59 g/mol
Exact Mass421.16
IUPAC Name4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)CC1
InChIInChI=1S/C19H27N5O2S2/c1-4-22(5-2)19(26)24-10-8-23(9-11-24)18(25)20-12-15-6-7-17(28-15)16-13-27-14(3)21-16/h6-7,13H,4-5,8-12H2,1-3H3,(H,20,25)
InChIKeyDNDREQYSECWRFT-UHFFFAOYSA-N
XLogP3.47
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 8941199
4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940458
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide
CID 17462344
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide
CID 110963811
4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
CID 24550813
2-[(1S)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941337
4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
CID 8940627
2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941345
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 40707333
1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea
CID 155950948

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide (CID 166185088) is 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)CC1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide?
The InChIKey is DNDREQYSECWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S2/c1-4-22(5-2)19(26)24-10-8-23(9-11-24)18(25)20-12-15-6-7-17(28-15)16-13-27-14(3)21-16/h6-7,13H,4-5,8-12H2,1-3H3,(H,20,25).
What are the key properties of 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide is sourced from PubChem (CID 166185088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).