2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride

C19H27ClN4O2S — CID 3039586

IUPAC2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCc1ncc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl
InChIInChI=1S/C19H26N4O2S.ClH/c1-3-18-21-14-17(26-18)19(24)20-8-9-22-10-12-23(13-11-22)15-6-4-5-7-16(15)25-2;/h4-7,14H,3,8-13H2,1-2H3,(H,20,24);1H
InChIKeyAIMUCHMTDFDRJV-UHFFFAOYSA-N
MW410.97 g/mol
LogP2.69
Rot. Bonds7

About 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride

2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 3039586) has the molecular formula C19H27ClN4O2S and a molecular weight of 410.97 g/mol. Its IUPAC name is 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID3039586
Molecular FormulaC19H27ClN4O2S
Molecular Weight410.97 g/mol
Exact Mass410.15
IUPAC Name2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCc1ncc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl
InChIInChI=1S/C19H26N4O2S.ClH/c1-3-18-21-14-17(26-18)19(24)20-8-9-22-10-12-23(13-11-22)15-6-4-5-7-16(15)25-2;/h4-7,14H,3,8-13H2,1-2H3,(H,20,24);1H
InChIKeyAIMUCHMTDFDRJV-UHFFFAOYSA-N
XLogP2.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride (CID 3039586) is 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride is CCc1ncc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl.
What is the InChIKey of 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is AIMUCHMTDFDRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S.ClH/c1-3-18-21-14-17(26-18)19(24)20-8-9-22-10-12-23(13-11-22)15-6-4-5-7-16(15)25-2;/h4-7,14H,3,8-13H2,1-2H3,(H,20,24);1H.
What are the key properties of 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride?
2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 410.97 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 3039586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).