2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide

C19H26N4O2S — CID 119445035

IUPAC2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NCCN3CCNCC3)s2)cc1
InChIInChI=1S/C19H26N4O2S/c1-3-25-16-6-4-15(5-7-16)19-22-14(2)17(26-19)18(24)21-10-13-23-11-8-20-9-12-23/h4-7,20H,3,8-13H2,1-2H3,(H,21,24)
InChIKeyUXKPCPBTJJRLPK-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.15
Rot. Bonds7

About 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide

2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 119445035) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID119445035
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NCCN3CCNCC3)s2)cc1
InChIInChI=1S/C19H26N4O2S/c1-3-25-16-6-4-15(5-7-16)19-22-14(2)17(26-19)18(24)21-10-13-23-11-8-20-9-12-23/h4-7,20H,3,8-13H2,1-2H3,(H,21,24)
InChIKeyUXKPCPBTJJRLPK-UHFFFAOYSA-N
XLogP2.15
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032
4-methyl-2-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338114
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119445691
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338509
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 78860001
4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide
CID 59337836
N-[2-[(3-bromobenzoyl)amino]ethyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60614790
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N-[3-(benzimidazol-1-yl)propyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55615670

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 119445035) is 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide is CCOc1ccc(-c2nc(C)c(C(=O)NCCN3CCNCC3)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UXKPCPBTJJRLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-3-25-16-6-4-15(5-7-16)19-22-14(2)17(26-19)18(24)21-10-13-23-11-8-20-9-12-23/h4-7,20H,3,8-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide?
2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119445035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).