N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride

C23H36Cl2N6OS — CID 155563663

IUPACN-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1C1CCCCC1.Cl.Cl
InChIInChI=1S/C23H34N6OS.2ClH/c1-16-19(15-24-29(16)18-9-4-3-5-10-18)21(30)26-23-25-20(17-7-6-8-17)22(31-23)28-13-11-27(2)12-14-28;;/h15,17-18H,3-14H2,1-2H3,(H,25,26,30);2*1H
InChIKeyCPPSBWWVXGXAFO-UHFFFAOYSA-N
MW515.56 g/mol
LogP5.27
Rot. Bonds5

About N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride

N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride (PubChem CID 155563663) has the molecular formula C23H36Cl2N6OS and a molecular weight of 515.56 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride
PubChem CID155563663
Molecular FormulaC23H36Cl2N6OS
Molecular Weight515.56 g/mol
Exact Mass514.20
IUPAC NameN-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1C1CCCCC1.Cl.Cl
InChIInChI=1S/C23H34N6OS.2ClH/c1-16-19(15-24-29(16)18-9-4-3-5-10-18)21(30)26-23-25-20(17-7-6-8-17)22(31-23)28-13-11-27(2)12-14-28;;/h15,17-18H,3-14H2,1-2H3,(H,25,26,30);2*1H
InChIKeyCPPSBWWVXGXAFO-UHFFFAOYSA-N
XLogP5.27
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.56
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide;dihydrochloride
CID 155534103
1-tert-butyl-N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methylpyrazole-4-carboxamide;hydrochloride
CID 155542105
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155544013
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-(4,4-difluorocyclohexyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155546455
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-4-carboxamide;dihydrochloride
CID 155546887
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride
CID 155549146
1,5-dimethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 75445495
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56333879
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56334006
1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008805
5-(difluoromethyl)-1-(2-methylpropyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 121833108
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 155534104

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride (CID 155563663) is N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1C1CCCCC1.Cl.Cl.
What is the InChIKey of N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride?
The InChIKey is CPPSBWWVXGXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6OS.2ClH/c1-16-19(15-24-29(16)18-9-4-3-5-10-18)21(30)26-23-25-20(17-7-6-8-17)22(31-23)28-13-11-27(2)12-14-28;;/h15,17-18H,3-14H2,1-2H3,(H,25,26,30);2*1H.
What are the key properties of N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride?
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride has a molecular weight of 515.56 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 155563663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).