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

C21H29N5O3S — CID 17376649

IUPAC2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1
InChIInChI=1S/C21H29N5O3S/c1-5-29-17-9-7-6-8-16(17)26-12-10-25(11-13-26)14-18(27)23-21-22-15(2)19(30-21)20(28)24(3)4/h6-9H,5,10-14H2,1-4H3,(H,22,23,27)
InChIKeyRPGWDMCHLKTLLF-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.31
Rot. Bonds7

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

2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 17376649) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID17376649
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1
InChIInChI=1S/C21H29N5O3S/c1-5-29-17-9-7-6-8-16(17)26-12-10-25(11-13-26)14-18(27)23-21-22-15(2)19(30-21)20(28)24(3)4/h6-9H,5,10-14H2,1-4H3,(H,22,23,27)
InChIKeyRPGWDMCHLKTLLF-UHFFFAOYSA-N
XLogP2.31
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 17376649) is 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is CCOc1ccccc1N1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1.
What is the InChIKey of 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is RPGWDMCHLKTLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-5-29-17-9-7-6-8-16(17)26-12-10-25(11-13-26)14-18(27)23-21-22-15(2)19(30-21)20(28)24(3)4/h6-9H,5,10-14H2,1-4H3,(H,22,23,27).
What are the key properties of 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17376649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).