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

C21H31ClN4O2S — CID 3045138

IUPAC5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride
SMILESCCCCc1cnc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl
InChIInChI=1S/C21H30N4O2S.ClH/c1-3-4-7-17-16-23-21(28-17)20(26)22-10-11-24-12-14-25(15-13-24)18-8-5-6-9-19(18)27-2;/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3,(H,22,26);1H
InChIKeyKGWOOGMBCWFZNS-UHFFFAOYSA-N
MW439.03 g/mol
LogP3.47
Rot. Bonds9

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

5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride (PubChem CID 3045138) has the molecular formula C21H31ClN4O2S and a molecular weight of 439.03 g/mol. Its IUPAC name is 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride
PubChem CID3045138
Molecular FormulaC21H31ClN4O2S
Molecular Weight439.03 g/mol
Exact Mass438.19
IUPAC Name5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride
SMILESCCCCc1cnc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl
InChIInChI=1S/C21H30N4O2S.ClH/c1-3-4-7-17-16-23-21(28-17)20(26)22-10-11-24-12-14-25(15-13-24)18-8-5-6-9-19(18)27-2;/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3,(H,22,26);1H
InChIKeyKGWOOGMBCWFZNS-UHFFFAOYSA-N
XLogP3.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.03
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride?
The IUPAC name of 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride (CID 3045138) is 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride is CCCCc1cnc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl.
What is the InChIKey of 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride?
The InChIKey is KGWOOGMBCWFZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S.ClH/c1-3-4-7-17-16-23-21(28-17)20(26)22-10-11-24-12-14-25(15-13-24)18-8-5-6-9-19(18)27-2;/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3,(H,22,26);1H.
What are the key properties of 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride?
5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride has a molecular weight of 439.03 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 3045138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).